D478-0062 Screening compound: 2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

D478-0062 Screening compound: 2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
D478-0062 Screening compound: 2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0062
2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]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

D478-0062

Molecular Formula

C23H22N4O3S2 (C23 H22 N4 O3 S2)

Compound Name

2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[(6-{[(35-dimethylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc1cc(NC(Nc(cc2)cc3c2nc(SCC(NCc2ccco2)=O)s3)=O)cc(C)c1

InChI

InChI=1S/C23H22N4O3S2/c1-14-8-15(2)10-17(9-14)26-22(29)25-16-5-6-19-20(11-16)32-23(27-19)31-13-21(28)24-12-18-4-3-7-30-18/h3-11H,12-13H2,1-2H3,(H,24,28)(H2,25,26,29)

InChI Key

LECVXYDPODBAAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.915

Distribution Coefficient, logD

5.915

Water Solubility, LogSw

-5.45

Polar Surface Area

73.572

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D478-0062 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D478-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0062?
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What is the minimum amount of D478-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0062
  • 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 D478-0062 available by request