T157-0073 Screening compound: 3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-cyclopentylurea

T157-0073 Screening compound: 3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-cyclopentylurea
T157-0073 Screening compound: 3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-cyclopentylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T157-0073
3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-cyclopentylurea

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

T157-0073

Molecular Formula

C14H19N3O (C14 H19 N3 O)

Compound Name

3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-cyclopentylurea

IUPAC name

3-{5H6H7H-cyclopenta[b]pyridin-3-yl}-1-cyclopentylurea

SMILES

O=C(NC1CCCC1)Nc1cnc(CCC2)c2c1

InChI

InChI=1S/C14H19N3O/c18-14(16-11-5-1-2-6-11)17-12-8-10-4-3-7-13(10)15-9-12/h8-9,11H,1-7H2,(H2,16,17,18)

InChI Key

FOENMSZGPDPCJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.82

Polar Surface Area

44.880

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

T157-0073 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T157-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T157-0073?
Check Price and Availability of T157-0073, 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 T157-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T157-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T157-0073
  • 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 T157-0073 available by request