G839-0108 Screening compound: 2-{4-[benzyl(ethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

G839-0108 Screening compound: 2-{4-[benzyl(ethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
G839-0108 Screening compound: 2-{4-[benzyl(ethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G839-0108
2-{4-[benzyl(ethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-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

G839-0108

Molecular Formula

C25H27N3O4S2 (C25 H27 N3 O4 S2)

Compound Name

2-{4-[benzyl(ethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-{4-[benzyl(ethyl)sulfamoyl]benzamido}-N-methyl-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

CCN(Cc1ccccc1)S(c(cc1)ccc1C(Nc1c(C(NC)=O)c(CCC2)c2s1)=O)(=O)=O

InChI

InChI=1S/C25H27N3O4S2/c1-3-28(16-17-8-5-4-6-9-17)34(31,32)19-14-12-18(13-15-19)23(29)27-25-22(24(30)26-2)20-10-7-11-21(20)33-25/h4-6,8-9,12-15H,3,7,10-11,16H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

DHHRICHLVKOLEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05929048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-4.23

Polar Surface Area

79.346

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G839-0108 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G839-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G839-0108?
Check Price and Availability of G839-0108, 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 G839-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G839-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G839-0108
  • 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 G839-0108 available by request