J078-0402 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

J078-0402 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide
J078-0402 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0402
N-(5-chloro-2-methoxyphenyl)-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

J078-0402

Molecular Formula

C23H22ClN3O4 (C23 H22 ClN3 O4)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-[2-oxo-4-(pyrrolidine-1-carbonyl)-12-dihydroquinolin-1-yl]acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CN(c(cccc1)c1C(C(N1CCCC1)=O)=C1)C1=O)=O

InChI

InChI=1S/C23H22ClN3O4/c1-31-20-9-8-15(24)12-18(20)25-21(28)14-27-19-7-3-2-6-16(19)17(13-22(27)29)23(30)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,25,28)

InChI Key

SYJJPEFGFMDXNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.638

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.58

Polar Surface Area

62.715

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

J078-0402 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 J078-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0402?
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What is the minimum amount of J078-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0402
  • 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 J078-0402 available by request