J078-0327 Screening compound: N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-[2-oxo-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

J078-0327 Screening compound: N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-[2-oxo-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide
J078-0327 Screening compound: N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-[2-oxo-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0327
N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-[2-oxo-4-(piperidine-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

J078-0327

Molecular Formula

C26H27N5O3 (C26 H27 N5 O3)

Compound Name

N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-[2-oxo-4-(piperidine-1-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]-2-[2-oxo-4-(piperidine-1-carbonyl)-12-dihydroquinolin-1-yl]acetamide

SMILES

Cn1c(cccc2)c2nc1CNC(CN(c(cccc1)c1C(C(N1CCCCC1)=O)=C1)C1=O)=O

InChI

InChI=1S/C26H27N5O3/c1-29-22-12-6-4-10-20(22)28-23(29)16-27-24(32)17-31-21-11-5-3-9-18(21)19(15-25(31)33)26(34)30-13-7-2-8-14-30/h3-6,9-12,15H,2,7-8,13-14,16-17H2,1H3,(H,27,32)

InChI Key

BUEIGZANVBLGRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-3.00

Polar Surface Area

68.725

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

J078-0327 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J078-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0327?
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What is the minimum amount of J078-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0327
  • 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 J078-0327 available by request