C226-1891 Screening compound: 5-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C226-1891 Screening compound: 5-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
C226-1891 Screening compound: 5-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1891
5-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]-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

C226-1891

Molecular Formula

C15H9F3N2O2S (C15 H9 F3 N2 O2 S)

Compound Name

5-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2cccs2)c1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-4-1-2-5-10(9)19-14(21)11-8-12(22-20-11)13-6-3-7-23-13/h1-8H,(H,19,21)

InChI Key

PVJNKGIPEQPYJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.51

Polar Surface Area

45.185

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

C226-1891 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1891?
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What is the minimum amount of C226-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1891
  • 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 C226-1891 available by request