G839-0106 Screening compound: 2-{4-[cyclohexyl(methyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G839-0106
2-{4-[cyclohexyl(methyl)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
G839-0106
Molecular Formula
C23H29N3O4S2 (C23 H29 N3 O4 S2)
Compound Name
2-{4-[cyclohexyl(methyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
IUPAC name
2-{4-[cyclohexyl(methyl)sulfamoyl]benzamido}-N-methyl-4H5H6H-cyclopenta[b]thiophene-3-carboxamide
SMILES
CNC(c1c(NC(c(cc2)ccc2S(N(C)C2CCCCC2)(=O)=O)=O)sc2c1CCC2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
475.63
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.670
Distribution Coefficient, logD
1.040
Water Solubility, LogSw
-4.18
Polar Surface Area
80.900
Acid Dissociation Constant (pKa)
4.77
Base Dissociation Constant (pKb)
-2.22
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.80
G839-0106 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with G839-0106 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of G839-0106, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)