T157-0100 Screening compound: N-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}thiophene-3-carboxamide

T157-0100 Screening compound: N-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}thiophene-3-carboxamide
T157-0100 Screening compound: N-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T157-0100
N-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}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

T157-0100

Molecular Formula

C13H12N2OS (C13 H12 N2 OS)

Compound Name

N-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}thiophene-3-carboxamide

IUPAC name

N-{5H6H7H-cyclopenta[b]pyridin-3-yl}thiophene-3-carboxamide

SMILES

O=C(c1cscc1)Nc1cnc(CCC2)c2c1

InChI

InChI=1S/C13H12N2OS/c16-13(10-4-5-17-8-10)15-11-6-9-2-1-3-12(9)14-7-11/h4-8H,1-3H2,(H,15,16)

InChI Key

ZVEGAJLJZMSKJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-2.86

Polar Surface Area

35.273

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

T157-0100 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T157-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T157-0100?
Check Price and Availability of T157-0100, 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 T157-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T157-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T157-0100
  • 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 T157-0100 available by request