J007-0463 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

J007-0463 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
J007-0463 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0463
N-(3-chloro-2-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

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

J007-0463

Molecular Formula

C16H18ClN3O2 (C16 H18 ClN3 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-(3-methyl-12-oxazol-5-yl)pyrrolidine-1-carboxamide

SMILES

Cc1noc(C(CCC2)N2C(Nc2cccc(Cl)c2C)=O)c1

InChI

InChI=1S/C16H18ClN3O2/c1-10-9-15(22-19-10)14-7-4-8-20(14)16(21)18-13-6-3-5-12(17)11(13)2/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,18,21)/t14-/m0/s1

InChI Key

MGNAFUWGHLGYCI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18486527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.82

Polar Surface Area

46.411

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J007-0463 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J007-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0463?
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What is the minimum amount of J007-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0463
  • 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 J007-0463 available by request