K788-9363 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

K788-9363 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
K788-9363 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9363
2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

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

K788-9363

Molecular Formula

C24H23ClN2O3 (C24 H23 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(CN(C(CCC2)=C2C(c(cccc2)c2Cl)=C2)C2=O)=O)cccc1

InChI

InChI=1S/C24H23ClN2O3/c1-30-22-12-5-2-7-16(22)14-26-23(28)15-27-21-11-6-9-18(21)19(13-24(27)29)17-8-3-4-10-20(17)25/h2-5,7-8,10,12-13H,6,9,11,14-15H2,1H3,(H,26,28)

InChI Key

QODLGQHJLBOISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.13

Polar Surface Area

48.418

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K788-9363 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-9363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9363?
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What is the minimum amount of K788-9363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9363
  • 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 K788-9363 available by request