K788-9361 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

K788-9361 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
K788-9361 Screening compound: 2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9361
2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]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

K788-9361

Molecular Formula

C28H31ClN2O4 (C28 H31 ClN2 O4)

Compound Name

2-[4-(2-chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

IUPAC name

2-[4-(2-chlorophenyl)-2-oxo-1H2H5H6H7H-cyclopenta[b]pyridin-1-yl]-N-[2-(34-diethoxyphenyl)ethyl]acetamide

SMILES

CCOc(ccc(CCNC(CN(C(CCC1)=C1C(c(cccc1)c1Cl)=C1)C1=O)=O)c1)c1OCC

InChI

InChI=1S/C28H31ClN2O4/c1-3-34-25-13-12-19(16-26(25)35-4-2)14-15-30-27(32)18-31-24-11-7-9-21(24)22(17-28(31)33)20-8-5-6-10-23(20)29/h5-6,8,10,12-13,16-17H,3-4,7,9,11,14-15,18H2,1-2H3,(H,30,32)

InChI Key

FBUBNLVPOFQERB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.79

Polar Surface Area

55.049

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with K788-9361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9361?
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What is the minimum amount of K788-9361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9361
  • 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 K788-9361 available by request