Y041-3443 Screening compound: 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

Y041-3443 Screening compound: 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
Y041-3443 Screening compound: 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3443
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)-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

Y041-3443

Molecular Formula

C22H25N3O6S2 (C22 H25 N3 O6 S2)

Compound Name

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

IUPAC name

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-(345-trimethoxyphenyl)-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)sc(-c(cc2OC)cc(OC)c2OC)n1

InChI

InChI=1S/C22H25N3O6S2/c1-13-20(21(26)24-10-9-14-5-7-16(8-6-14)33(23,27)28)32-22(25-13)15-11-17(29-2)19(31-4)18(12-15)30-3/h5-8,11-12H,9-10H2,1-4H3,(H,24,26)(H2,23,27,28)

InChI Key

KUXWWSCSWNBGGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12205021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-3.08

Polar Surface Area

108.385

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y041-3443 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y041-3443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3443?
Check Price and Availability of Y041-3443, 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 Y041-3443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3443
  • 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 Y041-3443 available by request