G839-0086 Screening compound: 2-(2,2-dimethylpropanamido)-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

G839-0086 Screening compound: 2-(2,2-dimethylpropanamido)-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
G839-0086 Screening compound: 2-(2,2-dimethylpropanamido)-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G839-0086
2-(2,2-dimethylpropanamido)-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

G839-0086

Molecular Formula

C14H20N2O2S (C14 H20 N2 O2 S)

Compound Name

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

IUPAC name

2-(22-dimethylpropanamido)-N-methyl-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

CC(C)(C)C(Nc1c(C(NC)=O)c(CCC2)c2s1)=O

InChI

InChI=1S/C14H20N2O2S/c1-14(2,3)13(18)16-12-10(11(17)15-4)8-6-5-7-9(8)19-12/h5-7H2,1-4H3,(H,15,17)(H,16,18)

InChI Key

SYRGDYMVYXADJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05929020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-2.45

Polar Surface Area

48.517

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

G839-0086 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G839-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G839-0086?
Check Price and Availability of G839-0086, 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 G839-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G839-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G839-0086
  • 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 G839-0086 available by request