T368-0147 Screening compound: 1-(3-{2-cyclopentyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)-2-(thiophen-2-yl)ethan-1-one

T368-0147 Screening compound: 1-(3-{2-cyclopentyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)-2-(thiophen-2-yl)ethan-1-one
T368-0147 Screening compound: 1-(3-{2-cyclopentyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T368-0147
1-(3-{2-cyclopentyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)-2-(thiophen-2-yl)ethan-1-one

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

T368-0147

Molecular Formula

C21H24N4OS (C21 H24 N4 OS)

Compound Name

1-(3-{2-cyclopentyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-(3-{2-cyclopentyl-3H-imidazo[45-b]pyridin-3-yl}pyrrolidin-1-yl)-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CC1)CC1n1c2ncccc2nc1C1CCCC1

InChI

InChI=1S/C21H24N4OS/c26-19(13-17-7-4-12-27-17)24-11-9-16(14-24)25-20(15-5-1-2-6-15)23-18-8-3-10-22-21(18)25/h3-4,7-8,10,12,15-16H,1-2,5-6,9,11,13-14H2

InChI Key

OSDJPBFRISMAGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.27

Polar Surface Area

38.183

Acid Dissociation Constant (pKa)

19.58

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

T368-0147 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T368-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T368-0147?
Check Price and Availability of T368-0147, 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 T368-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T368-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T368-0147
  • 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 T368-0147 available by request