D478-0029 Screening compound: N-benzyl-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D478-0029 Screening compound: N-benzyl-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D478-0029 Screening compound: N-benzyl-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0029
N-benzyl-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

D478-0029

Molecular Formula

C24H22N4O2S2 (C24 H22 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(Nc(cc2)cc3c2nc(SCC(NCc2ccccc2)=O)s3)=O)c1

InChI

InChI=1S/C24H22N4O2S2/c1-16-6-5-9-18(12-16)26-23(30)27-19-10-11-20-21(13-19)32-24(28-20)31-15-22(29)25-14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,29)(H2,26,27,30)

InChI Key

MXZMIMBEQAZUJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

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

5.831

Distribution Coefficient, logD

5.831

Water Solubility, LogSw

-5.45

Polar Surface Area

65.823

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D478-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 D478-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0029?
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What is the minimum amount of D478-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0029
  • 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 D478-0029 available by request