D478-0268 Screening compound: N-(2,4-dimethylphenyl)-2-[(6-{[(3-fluoro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D478-0268 Screening compound: N-(2,4-dimethylphenyl)-2-[(6-{[(3-fluoro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D478-0268 Screening compound: N-(2,4-dimethylphenyl)-2-[(6-{[(3-fluoro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0268
N-(2,4-dimethylphenyl)-2-[(6-{[(3-fluoro-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

D478-0268

Molecular Formula

C25H23FN4O2S2 (C25 H23 FN4 O2 S2)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-[(6-{[(3-fluoro-4-methylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nc(ccc(NC(Nc2cc(F)c(C)cc2)=O)c2)c2s1)=O

InChI

InChI=1S/C25H23FN4O2S2/c1-14-4-8-20(16(3)10-14)29-23(31)13-33-25-30-21-9-7-18(12-22(21)34-25)28-24(32)27-17-6-5-15(2)19(26)11-17/h4-12H,13H2,1-3H3,(H,29,31)(H2,27,28,32)

InChI Key

AYPBCALIORMYQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

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

6.923

Distribution Coefficient, logD

6.923

Water Solubility, LogSw

-5.51

Polar Surface Area

63.803

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D478-0268 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 D478-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0268?
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What is the minimum amount of D478-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0268
  • 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 D478-0268 available by request