J007-0450 Screening compound: ethyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}benzoate

J007-0450 Screening compound: ethyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}benzoate
J007-0450 Screening compound: ethyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0450
ethyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}benzoate

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

J007-0450

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

ethyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}benzoate

IUPAC name

ethyl 4-{[2-(35-dimethyl-12-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CCC1)C1c1c(C)onc1C)=O)=O

InChI

InChI=1S/C19H23N3O4/c1-4-25-18(23)14-7-9-15(10-8-14)20-19(24)22-11-5-6-16(22)17-12(2)21-26-13(17)3/h7-10,16H,4-6,11H2,1-3H3,(H,20,24)/t16-/m0/s1

InChI Key

ZUZQAUSPJZFYNO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD18484808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.16

Polar Surface Area

68.288

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

J007-0450 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J007-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0450?
Check Price and Availability of J007-0450, 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 J007-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0450
  • 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 J007-0450 available by request