WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 532944

CAS#: 1276013-77-4

Description: VU0404251 is a mGlu5 positive allosteric modulator.

Chemical Structure

CAS# 1276013-77-4

Theoretical Analysis

MedKoo Cat#: 532944
Name: VU0404251
CAS#: 1276013-77-4
Chemical Formula: C19H23FN2O2
Exact Mass: 330.1744
Molecular Weight: 330.4
Elemental Analysis: C, 69.07; H, 7.02; F, 5.75; N, 8.48; O, 9.68

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: VU0404251, VU 0404251, VU-0404251

IUPAC/Chemical Name: N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide


InChi Code: InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1

SMILES Code: O=C(C1=CC=C(OCC2=CC=CC(F)=C2)N=C1)N[C@@H](C(C)(C)C)C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 330.4 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

Molarity Calculator

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Dilution Calculator

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1: Manka JT, Vinson PN, Gregory KJ, Zhou Y, Williams R, Gogi K, Days E, Jadhav S, Herman EJ, Lavreysen H, Mackie C, Bartolomé JM, Macdonald GJ, Steckler T, Daniels JS, Weaver CD, Niswender CM, Jones CK, Conn PJ, Lindsley CW, Stauffer SR. Optimization of an ether series of mGlu5 positive allosteric modulators: molecular determinants of MPEP-site interaction crossover. Bioorg Med Chem Lett. 2012 Oct 15;22(20):6481-5. doi: 10.1016/j.bmcl.2012.08.043. Epub 2012 Aug 24. PubMed PMID: 22981332; PubMed Central PMCID: PMC3755010.