D478-0151 Screening compound: N-(2-chlorophenyl)-2-[(6-{[(2,3-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D478-0151 Screening compound: N-(2-chlorophenyl)-2-[(6-{[(2,3-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D478-0151 Screening compound: N-(2-chlorophenyl)-2-[(6-{[(2,3-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0151
N-(2-chlorophenyl)-2-[(6-{[(2,3-dimethylphenyl)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

D478-0151

Molecular Formula

C24H21ClN4O2S2 (C24 H21 ClN4 O2 S2)

Compound Name

N-(2-chlorophenyl)-2-[(6-{[(2,3-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(2-chlorophenyl)-2-[(6-{[(23-dimethylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

Cc1cccc(NC(Nc(cc2)cc3c2nc(SCC(Nc(cccc2)c2Cl)=O)s3)=O)c1C

InChI

InChI=1S/C24H21ClN4O2S2/c1-14-6-5-9-18(15(14)2)28-23(31)26-16-10-11-20-21(12-16)33-24(29-20)32-13-22(30)27-19-8-4-3-7-17(19)25/h3-12H,13H2,1-2H3,(H,27,30)(H2,26,28,31)

InChI Key

NMXCSFGTTXBNTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

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

6.472

Distribution Coefficient, logD

6.472

Water Solubility, LogSw

-6.13

Polar Surface Area

63.105

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D478-0151 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D478-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0151?
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What is the minimum amount of D478-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0151
  • 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 D478-0151 available by request