C226-2582 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C226-2582 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
C226-2582 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2582
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-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

C226-2582

Molecular Formula

C12H8ClF3N2O2 (C12 H8 ClF3 N2 O2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-12-oxazole-3-carboxamide

SMILES

Cc1cc(C(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)no1

InChI

InChI=1S/C12H8ClF3N2O2/c1-6-4-10(18-20-6)11(19)17-9-5-7(12(14,15)16)2-3-8(9)13/h2-5H,1H3,(H,17,19)

InChI Key

RDNIFHSDAHCPKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08724840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.37

Polar Surface Area

43.860

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C226-2582 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-2582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2582?
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What is the minimum amount of C226-2582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2582
  • 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 C226-2582 available by request