C226-0415 Screening compound: 5-(4-chlorophenyl)-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-3-carboxamide

C226-0415 Screening compound: 5-(4-chlorophenyl)-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-3-carboxamide
C226-0415 Screening compound: 5-(4-chlorophenyl)-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0415
5-(4-chlorophenyl)-N-[2-(methylsulfanyl)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

C226-0415

Molecular Formula

C17H13ClN2O2S (C17 H13 ClN2 O2 S)

Compound Name

5-(4-chlorophenyl)-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-chlorophenyl)-N-[2-(methylsulfanyl)phenyl]-12-oxazole-3-carboxamide

SMILES

CSc(cccc1)c1NC(c1noc(-c(cc2)ccc2Cl)c1)=O

InChI

InChI=1S/C17H13ClN2O2S/c1-23-16-5-3-2-4-13(16)19-17(21)14-10-15(22-20-14)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,21)

InChI Key

PVFIVQFYTKCNSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.87

Polar Surface Area

44.167

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C226-0415 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0415?
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What is the minimum amount of C226-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0415
  • 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 C226-0415 available by request