J007-0031 Screening compound: 2-(3-methyl-1,2-oxazol-5-yl)-N-phenylpyrrolidine-1-carboxamide

J007-0031 Screening compound: 2-(3-methyl-1,2-oxazol-5-yl)-N-phenylpyrrolidine-1-carboxamide
J007-0031 Screening compound: 2-(3-methyl-1,2-oxazol-5-yl)-N-phenylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0031
2-(3-methyl-1,2-oxazol-5-yl)-N-phenylpyrrolidine-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

J007-0031

Molecular Formula

C15H17N3O2 (C15 H17 N3 O2)

Compound Name

2-(3-methyl-1,2-oxazol-5-yl)-N-phenylpyrrolidine-1-carboxamide

IUPAC name

2-(3-methyl-12-oxazol-5-yl)-N-phenylpyrrolidine-1-carboxamide

SMILES

Cc1noc(C(CCC2)N2C(Nc2ccccc2)=O)c1

InChI

InChI=1S/C15H17N3O2/c1-11-10-14(20-17-11)13-8-5-9-18(13)15(19)16-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,16,19)/t13-/m0/s1

InChI Key

OGFSPKBOGLMIPM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD18484990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.32

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

2.258

Distribution Coefficient, logD

2.258

Water Solubility, LogSw

-2.87

Polar Surface Area

47.109

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

J007-0031 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J007-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0031?
Check Price and Availability of J007-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J007-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0031
  • 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 J007-0031 available by request