D451-0931 Screening compound: N-(4-fluorophenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D451-0931 Screening compound: N-(4-fluorophenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D451-0931 Screening compound: N-(4-fluorophenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0931
N-(4-fluorophenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]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

D451-0931

Molecular Formula

C23H19FN4O2S2 (C23 H19 FN4 O2 S2)

Compound Name

N-(4-fluorophenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-fluorophenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

Cc1cccc(NC(Nc(cc2)cc3c2nc(SCC(Nc(cc2)ccc2F)=O)s3)=O)c1

InChI

InChI=1S/C23H19FN4O2S2/c1-14-3-2-4-17(11-14)26-22(30)27-18-9-10-19-20(12-18)32-23(28-19)31-13-21(29)25-16-7-5-15(24)6-8-16/h2-12H,13H2,1H3,(H,25,29)(H2,26,27,30)

InChI Key

AWHDPQCHJIOHAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.179

Distribution Coefficient, logD

6.179

Water Solubility, LogSw

-5.44

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D451-0931 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D451-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0931?
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What is the minimum amount of D451-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0931
  • 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 D451-0931 available by request