J078-0245 Screening compound: 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-2-one

J078-0245 Screening compound: 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-2-one
J078-0245 Screening compound: 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0245
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-2-one

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

J078-0245

Molecular Formula

C26H24ClN3O3 (C26 H24 ClN3 O3)

Compound Name

1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-2-one

IUPAC name

1-{[2-(3-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-4-(piperidine-1-carbonyl)-12-dihydroquinolin-2-one

SMILES

Cc1c(CN(c(cccc2)c2C(C(N2CCCCC2)=O)=C2)C2=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C26H24ClN3O3/c1-17-22(28-25(33-17)18-8-7-9-19(27)14-18)16-30-23-11-4-3-10-20(23)21(15-24(30)31)26(32)29-12-5-2-6-13-29/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3

InChI Key

RBOGKCJUEZXENT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.55

Polar Surface Area

50.389

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

J078-0245 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J078-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0245?
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What is the minimum amount of J078-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0245
  • 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 J078-0245 available by request