ZINC20531199

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

MedKoo CAT#: 463436

CAS#: unknown

Description: ZINC20531199 is a novel EGFR triple mutant T790M/C797S allosteric inhibitor.


Chemical Structure

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ZINC20531199
CAS# unknown

Theoretical Analysis

MedKoo Cat#: 463436
Name: ZINC20531199
CAS#: unknown
Chemical Formula: C20H17N3O2S
Exact Mass: 363.1041
Molecular Weight: 363.435
Elemental Analysis: C, 66.10; H, 4.72; N, 11.56; O, 8.80; S, 8.82

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 @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: ZINC20531199; ZINC 20531199; ZINC-20531199;

IUPAC/Chemical Name: (R)-2-(1-oxoisoindolin-2-yl)-3-phenyl-N-(thiazol-2-yl)propanamide

InChi Key: RJIOUIMLBPAEMB-QGZVFWFLSA-N

InChi Code: InChI=1S/C20H17N3O2S/c24-18(22-20-21-10-11-26-20)17(12-14-6-2-1-3-7-14)23-13-15-8-4-5-9-16(15)19(23)25/h1-11,17H,12-13H2,(H,21,22,24)/t17-/m1/s1

SMILES Code: O=C(NC1=NC=CS1)[C@H](N(CC2=C3C=CC=C2)C3=O)CC4=CC=CC=C4

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: >3 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 363.435 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

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1: Patel HM, Ahmad I, Pawara R, Shaikh M, Surana S. In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure- based virtual screening and molecular dynamics simulation. J Biomol Struct Dyn. 2020 Mar 6:1-15. doi: 10.1080/07391102.2020.1734092. Epub ahead of print. PMID: 32102624.