D308-0495 Screening compound: N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

D308-0495 Screening compound: N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
D308-0495 Screening compound: N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0495
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

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

D308-0495

Molecular Formula

C16H14ClN3OS2 (C16 H14 ClN3 OS2)

Compound Name

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

IUPAC name

N-[4-(3-chlorophenyl)-5-methyl-13-thiazol-2-yl]-24-dimethyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2nc(-c3cccc(Cl)c3)c(C)s2)=O)sc(C)n1

InChI

InChI=1S/C16H14ClN3OS2/c1-8-14(23-10(3)18-8)15(21)20-16-19-13(9(2)22-16)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H,19,20,21)

InChI Key

ASOXBMMQKJWLKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-5.16

Polar Surface Area

44.264

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D308-0495 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D308-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0495?
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What is the minimum amount of D308-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0495
  • 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 D308-0495 available by request