J007-0684 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

J007-0684 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
J007-0684 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0684
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)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

J007-0684

Molecular Formula

C19H25N3O5 (C19 H25 N3 O5)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-N-(345-trimethoxyphenyl)pyrrolidine-1-carboxamide

SMILES

Cc1noc(C)c1C(CCC1)N1C(Nc(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C19H25N3O5/c1-11-17(12(2)27-21-11)14-7-6-8-22(14)19(23)20-13-9-15(24-3)18(26-5)16(10-13)25-4/h9-10,14H,6-8H2,1-5H3,(H,20,23)/t14-/m0/s1

InChI Key

GJGLWYQBPNBRTK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15078105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

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

1.862

Distribution Coefficient, logD

1.862

Water Solubility, LogSw

-2.62

Polar Surface Area

70.512

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

J007-0684 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with J007-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0684?
Check Price and Availability of J007-0684, 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 J007-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0684
  • 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 J007-0684 available by request