D478-0336 Screening compound: N-(3,5-dimethylphenyl)-2-[(6-{[(3-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D478-0336 Screening compound: N-(3,5-dimethylphenyl)-2-[(6-{[(3-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D478-0336 Screening compound: N-(3,5-dimethylphenyl)-2-[(6-{[(3-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0336
N-(3,5-dimethylphenyl)-2-[(6-{[(3-fluorophenyl)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

D478-0336

Molecular Formula

C24H21FN4O2S2 (C24 H21 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(CSc2nc(ccc(NC(Nc3cc(F)ccc3)=O)c3)c3s2)=O)cc(C)c1

InChI

InChI=1S/C24H21FN4O2S2/c1-14-8-15(2)10-19(9-14)26-22(30)13-32-24-29-20-7-6-18(12-21(20)33-24)28-23(31)27-17-5-3-4-16(25)11-17/h3-12H,13H2,1-2H3,(H,26,30)(H2,27,28,31)

InChI Key

MILZQEAMPBNGIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

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

6.637

Distribution Coefficient, logD

6.636

Water Solubility, LogSw

-5.65

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D478-0336 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D478-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0336?
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What is the minimum amount of D478-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0336
  • 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 D478-0336 available by request