P053-3036 Screening compound: N4-[(2-chloro-4-fluorophenyl)methyl]-N2-cyclopentyl-1,3-thiazole-2,4-dicarboxamide

P053-3036 Screening compound: N4-[(2-chloro-4-fluorophenyl)methyl]-N2-cyclopentyl-1,3-thiazole-2,4-dicarboxamide
P053-3036 Screening compound: N4-[(2-chloro-4-fluorophenyl)methyl]-N2-cyclopentyl-1,3-thiazole-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-3036
N4-[(2-chloro-4-fluorophenyl)methyl]-N2-cyclopentyl-1,3-thiazole-2,4-dicarboxamide

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

P053-3036

Molecular Formula

C17H17ClFN3O2S (C17 H17 ClFN3 O2 S)

Compound Name

N4-[(2-chloro-4-fluorophenyl)methyl]-N2-cyclopentyl-1,3-thiazole-2,4-dicarboxamide

IUPAC name

N4-[(2-chloro-4-fluorophenyl)methyl]-N2-cyclopentyl-13-thiazole-24-dicarboxamide

SMILES

O=C(c1csc(C(NC2CCCC2)=O)n1)NCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C17H17ClFN3O2S/c18-13-7-11(19)6-5-10(13)8-20-15(23)14-9-25-17(22-14)16(24)21-12-3-1-2-4-12/h5-7,9,12H,1-4,8H2,(H,20,23)(H,21,24)

InChI Key

AYKLULVWXZHYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.43

Polar Surface Area

59.162

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

P053-3036 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P053-3036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-3036?
Check Price and Availability of P053-3036, 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 P053-3036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-3036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-3036
  • 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 P053-3036 available by request