4157-0589 Screening compound: 1-[2-(4-sulfamoylphenyl)ethyl]-3-(thiophene-2-carbonyl)thiourea

4157-0589 Screening compound: 1-[2-(4-sulfamoylphenyl)ethyl]-3-(thiophene-2-carbonyl)thiourea
4157-0589 Screening compound: 1-[2-(4-sulfamoylphenyl)ethyl]-3-(thiophene-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0589
1-[2-(4-sulfamoylphenyl)ethyl]-3-(thiophene-2-carbonyl)thiourea

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

4157-0589

Molecular Formula

C14H15N3O3S3 (C14 H15 N3 O3 S3)

Compound Name

1-[2-(4-sulfamoylphenyl)ethyl]-3-(thiophene-2-carbonyl)thiourea

IUPAC name

1-[2-(4-sulfamoylphenyl)ethyl]-3-(thiophene-2-carbonyl)thiourea

SMILES

NS(c1ccc(CCNC(NC(c2cccs2)=O)=S)cc1)(=O)=O

InChI

InChI=1S/C14H15N3O3S3/c15-23(19,20)11-5-3-10(4-6-11)7-8-16-14(21)17-13(18)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,15,19,20)(H2,16,17,18,21)

InChI Key

KUJKHYWDQYSCEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02153179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-2.02

Polar Surface Area

86.025

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4157-0589 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4157-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0589?
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What is the minimum amount of 4157-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0589
  • 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 4157-0589 available by request