J007-1393 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

J007-1393 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
J007-1393 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1393
N-(2H-1,3-benzodioxol-5-yl)-2-(3-ethyl-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

J007-1393

Molecular Formula

C17H19N3O4 (C17 H19 N3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(3-ethyl-12-oxazol-5-yl)pyrrolidine-1-carboxamide

SMILES

CCc1noc(C(CCC2)N2C(Nc(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C17H19N3O4/c1-2-11-8-15(24-19-11)13-4-3-7-20(13)17(21)18-12-5-6-14-16(9-12)23-10-22-14/h5-6,8-9,13H,2-4,7,10H2,1H3,(H,18,21)/t13-/m0/s1

InChI Key

SMQNQEPBAXHQPD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD18487272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.20

Polar Surface Area

64.913

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

J007-1393 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 J007-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1393?
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What is the minimum amount of J007-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1393
  • 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 J007-1393 available by request