C301-9775 Screening compound: 2-[(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C301-9775 Screening compound: 2-[(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
C301-9775 Screening compound: 2-[(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9775
2-[(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

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

C301-9775

Molecular Formula

C24H18ClFN4O2S2 (C24 H18 ClFN4 O2 S2)

Compound Name

2-[(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-[(4-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-13-thiazol-2-yl)acetamide

SMILES

O=C(CSc(cc1)ccc1NC(Nc(cc1)cc(Cl)c1F)=O)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C24H18ClFN4O2S2/c25-19-12-17(8-11-20(19)26)28-23(32)27-16-6-9-18(10-7-16)33-14-22(31)30-24-29-21(13-34-24)15-4-2-1-3-5-15/h1-13H,14H2,(H2,27,28,32)(H,29,30,31)

InChI Key

JOZDRHGTJLFWDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.132

Distribution Coefficient, logD

7.130

Water Solubility, LogSw

-6.55

Polar Surface Area

65.194

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

C301-9775 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C301-9775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9775?
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What is the minimum amount of C301-9775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9775
  • 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 C301-9775 available by request