D478-0048 Screening compound: N-[(furan-2-yl)methyl]-2-[(6-{[(4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D478-0048 Screening compound: N-[(furan-2-yl)methyl]-2-[(6-{[(4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D478-0048 Screening compound: N-[(furan-2-yl)methyl]-2-[(6-{[(4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0048
N-[(furan-2-yl)methyl]-2-[(6-{[(4-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

D478-0048

Molecular Formula

C22H20N4O3S2 (C22 H20 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(Nc(cc1)cc2c1nc(SCC(NCc1ccco1)=O)s2)=O

InChI

InChI=1S/C22H20N4O3S2/c1-14-4-6-15(7-5-14)24-21(28)25-16-8-9-18-19(11-16)31-22(26-18)30-13-20(27)23-12-17-3-2-10-29-17/h2-11H,12-13H2,1H3,(H,23,27)(H2,24,25,28)

InChI Key

OJKVWRNCHSOUPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

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

5.645

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-5.34

Polar Surface Area

73.572

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D478-0048 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 D478-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0048?
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What is the minimum amount of D478-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0048
  • 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 D478-0048 available by request