K788-9087 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide

K788-9087 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide
K788-9087 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9087
2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide

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

K788-9087

Molecular Formula

C21H23ClN2O2 (C21 H23 ClN2 O2)

Compound Name

2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide

IUPAC name

2-[4-(2-chlorophenyl)-2-oxo-1H2H5H6H7H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide

SMILES

O=C(CN(C(CCC1)=C1C(c(cccc1)c1Cl)=C1)C1=O)NC1CCCC1

InChI

InChI=1S/C21H23ClN2O2/c22-18-10-4-3-8-15(18)17-12-21(26)24(19-11-5-9-16(17)19)13-20(25)23-14-6-1-2-7-14/h3-4,8,10,12,14H,1-2,5-7,9,11,13H2,(H,23,25)

InChI Key

WKJUCXWLJFRWKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.89

Polar Surface Area

40.878

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

K788-9087 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-9087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9087?
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What is the minimum amount of K788-9087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9087
  • 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 K788-9087 available by request