D478-0106 Screening compound: N-(3-methylphenyl)-2-[(6-{[(2-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D478-0106 Screening compound: N-(3-methylphenyl)-2-[(6-{[(2-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D478-0106 Screening compound: N-(3-methylphenyl)-2-[(6-{[(2-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0106
N-(3-methylphenyl)-2-[(6-{[(2-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

D478-0106

Molecular Formula

C24H22N4O2S2 (C24 H22 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSc2nc(ccc(NC(Nc3c(C)cccc3)=O)c3)c3s2)=O)c1

InChI

InChI=1S/C24H22N4O2S2/c1-15-6-5-8-17(12-15)25-22(29)14-31-24-28-20-11-10-18(13-21(20)32-24)26-23(30)27-19-9-4-3-7-16(19)2/h3-13H,14H2,1-2H3,(H,25,29)(H2,26,27,30)

InChI Key

OROXBSCUXUMSRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831433

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

5.946

Water Solubility, LogSw

-5.44

Polar Surface Area

63.803

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D478-0106 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D478-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0106?
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What is the minimum amount of D478-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0106
  • 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 D478-0106 available by request