G400-0430 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

G400-0430 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
G400-0430 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G400-0430
N-(5-chloro-2,4-dimethoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

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

G400-0430

Molecular Formula

C17H19ClN2O5S2 (C17 H19 ClN2 O5 S2)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

SMILES

COc(c(NS(c1ccc(C(N2CCCC2)=O)s1)(=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C17H19ClN2O5S2/c1-24-13-10-14(25-2)12(9-11(13)18)19-27(22,23)16-6-5-15(26-16)17(21)20-7-3-4-8-20/h5-6,9-10,19H,3-4,7-8H2,1-2H3

InChI Key

IMFBGMBPAGQKKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-3.79

Polar Surface Area

73.484

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G400-0430 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G400-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G400-0430?
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What is the minimum amount of G400-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G400-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G400-0430
  • 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 G400-0430 available by request