G839-0050 Screening compound: N-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

G839-0050 Screening compound: N-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
G839-0050 Screening compound: N-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G839-0050
N-methyl-2-[3-(trifluoromethyl)benzamido]-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

G839-0050

Molecular Formula

C17H15F3N2O2S (C17 H15 F3 N2 O2 S)

Compound Name

N-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

N-methyl-2-[3-(trifluoromethyl)benzamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

CNC(c1c(NC(c2cc(C(F)(F)F)ccc2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C17H15F3N2O2S/c1-21-15(24)13-11-6-3-7-12(11)25-16(13)22-14(23)9-4-2-5-10(8-9)17(18,19)20/h2,4-5,8H,3,6-7H2,1H3,(H,21,24)(H,22,23)

InChI Key

QZEWHSAHGWBSSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05928975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

0.679

Water Solubility, LogSw

-3.83

Polar Surface Area

48.246

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G839-0050 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G839-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G839-0050?
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What is the minimum amount of G839-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G839-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G839-0050
  • 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 G839-0050 available by request