C226-0891 Screening compound: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C226-0891 Screening compound: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
C226-0891 Screening compound: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0891
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C226-0891

Molecular Formula

C19H17N3O3S (C19 H17 N3 O3 S)

Compound Name

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-methoxyphenyl)-12-oxazole-3-carboxamide

SMILES

CCc1c(C)sc(NC(c2noc(-c3cc(OC)ccc3)c2)=O)c1C#N

InChI

InChI=1S/C19H17N3O3S/c1-4-14-11(2)26-19(15(14)10-20)21-18(23)16-9-17(25-22-16)12-6-5-7-13(8-12)24-3/h5-9H,4H2,1-3H3,(H,21,23)

InChI Key

YVJNCRNRXVMTAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-4.50

Polar Surface Area

69.259

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C226-0891 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0891?
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What is the minimum amount of C226-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0891
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C226-0891 available by request