D376-0435 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

D376-0435 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
D376-0435 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0435
2-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-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

D376-0435

Molecular Formula

C22H17ClFN3O2S2 (C22 H17 ClFN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2nc(-c(cc3)ccc3F)cs2)=O)sc(COc(cc2)cc(C)c2Cl)n1

InChI

InChI=1S/C22H17ClFN3O2S2/c1-12-9-16(7-8-17(12)23)29-10-19-25-13(2)20(31-19)21(28)27-22-26-18(11-30-22)14-3-5-15(24)6-4-14/h3-9,11H,10H2,1-2H3,(H,26,27,28)

InChI Key

SHZFONFDLDCZHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.98

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

7.067

Distribution Coefficient, logD

7.066

Water Solubility, LogSw

-6.45

Polar Surface Area

51.410

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D376-0435 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)

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 D376-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0435?
Check Price and Availability of D376-0435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D376-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0435
  • 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 D376-0435 available by request