J029-0001 Screening compound: 1-phenyl-N-(pyridin-3-yl)cyclopentane-1-carboxamide

J029-0001 Screening compound: 1-phenyl-N-(pyridin-3-yl)cyclopentane-1-carboxamide
J029-0001 Screening compound: 1-phenyl-N-(pyridin-3-yl)cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0001
1-phenyl-N-(pyridin-3-yl)cyclopentane-1-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

J029-0001

Molecular Formula

C17H18N2O (C17 H18 N2 O)

Compound Name

1-phenyl-N-(pyridin-3-yl)cyclopentane-1-carboxamide

IUPAC name

1-phenyl-N-(pyridin-3-yl)cyclopentane-1-carboxamide

SMILES

O=C(C1(CCCC1)c1ccccc1)Nc1cnccc1

InChI

InChI=1S/C17H18N2O/c20-16(19-15-9-6-12-18-13-15)17(10-4-5-11-17)14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,19,20)

InChI Key

WNUDCVSSOAUXOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01898022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.10

Polar Surface Area

33.134

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

J029-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with J029-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0001?
Check Price and Availability of J029-0001, 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 J029-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0001
  • 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 J029-0001 available by request