J078-0457 Screening compound: N-(2-chlorophenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

J078-0457 Screening compound: N-(2-chlorophenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide
J078-0457 Screening compound: N-(2-chlorophenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0457
N-(2-chlorophenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]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

J078-0457

Molecular Formula

C22H20ClN3O3 (C22 H20 ClN3 O3)

Compound Name

N-(2-chlorophenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(2-chlorophenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-12-dihydroquinolin-1-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1C(C(N1CCCC1)=O)=C1)C1=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C22H20ClN3O3/c23-17-8-2-3-9-18(17)24-20(27)14-26-19-10-4-1-7-15(19)16(13-21(26)28)22(29)25-11-5-6-12-25/h1-4,7-10,13H,5-6,11-12,14H2,(H,24,27)

InChI Key

GAFZPDXEGYVXGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-3.38

Polar Surface Area

55.085

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J078-0457 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J078-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0457?
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What is the minimum amount of J078-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0457
  • 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 J078-0457 available by request