D478-0109 Screening compound: 2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

D478-0109 Screening compound: 2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
D478-0109 Screening compound: 2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0109
2-[(6-{[(3,5-dimethylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)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

D478-0109

Molecular Formula

C25H24N4O2S2 (C25 H24 N4 O2 S2)

Compound Name

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

IUPAC name

2-[(6-{[(35-dimethylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc2nc(ccc(NC(Nc3cc(C)cc(C)c3)=O)c3)c3s2)=O)c1

InChI

InChI=1S/C25H24N4O2S2/c1-15-5-4-6-18(10-15)26-23(30)14-32-25-29-21-8-7-19(13-22(21)33-25)27-24(31)28-20-11-16(2)9-17(3)12-20/h4-13H,14H2,1-3H3,(H,26,30)(H2,27,28,31)

InChI Key

PYAQAKNZLNMVOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

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

6.843

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-5.58

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D478-0109 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 D478-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0109?
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What is the minimum amount of D478-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0109
  • 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 D478-0109 available by request