C703-1871 Screening compound: 2-chloro-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C703-1871 Screening compound: 2-chloro-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
C703-1871 Screening compound: 2-chloro-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C703-1871
2-chloro-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-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

C703-1871

Molecular Formula

C16H16ClN3O3S2 (C16 H16 ClN3 O3 S2)

Compound Name

2-chloro-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

IUPAC name

2-chloro-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4H-thieno[32-b]pyrrole-5-carboxamide

SMILES

Cn(c(C(NCCc(cc1)ccc1S(N)(=O)=O)=O)c1)c2c1sc(Cl)c2

InChI

InChI=1S/C16H16ClN3O3S2/c1-20-12-9-15(17)24-14(12)8-13(20)16(21)19-7-6-10-2-4-11(5-3-10)25(18,22)23/h2-5,8-9H,6-7H2,1H3,(H,19,21)(H2,18,22,23)

InChI Key

VLNDFLNVIWBVMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.851

Distribution Coefficient, logD

1.851

Water Solubility, LogSw

-2.97

Polar Surface Area

77.650

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C703-1871 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C703-1871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C703-1871?
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What is the minimum amount of C703-1871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C703-1871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C703-1871
  • 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 C703-1871 available by request