T157-0079 Screening compound: 1-benzyl-3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}urea

T157-0079 Screening compound: 1-benzyl-3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}urea
T157-0079 Screening compound: 1-benzyl-3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T157-0079
1-benzyl-3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}urea

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

T157-0079

Molecular Formula

C16H17N3O (C16 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1ccccc1)Nc1cnc(CCC2)c2c1

InChI

InChI=1S/C16H17N3O/c20-16(18-10-12-5-2-1-3-6-12)19-14-9-13-7-4-8-15(13)17-11-14/h1-3,5-6,9,11H,4,7-8,10H2,(H2,18,19,20)

InChI Key

OQFXUIQSPHDYTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-3.01

Polar Surface Area

44.788

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

T157-0079 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 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

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

References: we are preparing a list of scientific research reports with T157-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T157-0079?
Check Price and Availability of T157-0079, 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 T157-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T157-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T157-0079
  • 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 T157-0079 available by request