Y040-4561 Screening compound: 2-(2-chlorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

Y040-4561 Screening compound: 2-(2-chlorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
Y040-4561 Screening compound: 2-(2-chlorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4561
2-(2-chlorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-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

Y040-4561

Molecular Formula

C19H18ClN3O3S2 (C19 H18 ClN3 O3 S2)

Compound Name

2-(2-chlorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-(2-chlorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-13-thiazole-4-carboxamide

SMILES

Cc1c(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)nc(-c(cccc2)c2Cl)s1

InChI

InChI=1S/C19H18ClN3O3S2/c1-12-17(23-19(27-12)15-4-2-3-5-16(15)20)18(24)22-11-10-13-6-8-14(9-7-13)28(21,25)26/h2-9H,10-11H2,1H3,(H,22,24)(H2,21,25,26)

InChI Key

JUOASGRIQYFMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.69

Polar Surface Area

85.601

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y040-4561 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-4561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4561?
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What is the minimum amount of Y040-4561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4561
  • 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 Y040-4561 available by request