D333-0158 Screening compound: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

D333-0158 Screening compound: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
D333-0158 Screening compound: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D333-0158
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-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

D333-0158

Molecular Formula

C22H18ClN3O2S2 (C22 H18 ClN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2nc(-c(cc3)ccc3Cl)cs2)=O)sc(COc2cc(C)ccc2)n1

InChI

InChI=1S/C22H18ClN3O2S2/c1-13-4-3-5-17(10-13)28-11-19-24-14(2)20(30-19)21(27)26-22-25-18(12-29-22)15-6-8-16(23)9-7-15/h3-10,12H,11H2,1-2H3,(H,25,26,27)

InChI Key

NZWXIKRGPVFLEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.844

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-6.36

Polar Surface Area

51.410

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D333-0158 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D333-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D333-0158?
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What is the minimum amount of D333-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D333-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D333-0158
  • 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 D333-0158 available by request