J004-1687 Screening compound: 3-(2-chloro-6-fluorophenyl)-4-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole

J004-1687 Screening compound: 3-(2-chloro-6-fluorophenyl)-4-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole
J004-1687 Screening compound: 3-(2-chloro-6-fluorophenyl)-4-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1687
3-(2-chloro-6-fluorophenyl)-4-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole

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

J004-1687

Molecular Formula

C20H19ClFN3O3 (C20 H19 ClFN3 O3)

Compound Name

3-(2-chloro-6-fluorophenyl)-4-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole

IUPAC name

3-(2-chloro-6-fluorophenyl)-4-[2-(3-ethyl-12-oxazol-5-yl)pyrrolidine-1-carbonyl]-5-methyl-12-oxazole

SMILES

CCc1noc(C(CCC2)N2C(c2c(C)onc2-c(c(F)ccc2)c2Cl)=O)c1

InChI

InChI=1S/C20H19ClFN3O3/c1-3-12-10-16(28-23-12)15-8-5-9-25(15)20(26)17-11(2)27-24-19(17)18-13(21)6-4-7-14(18)22/h4,6-7,10,15H,3,5,8-9H2,1-2H3/t15-/m0/s1

InChI Key

BIOFGECNTVFDBA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27215087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-4.21

Polar Surface Area

60.937

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

J004-1687 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J004-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1687?
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What is the minimum amount of J004-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1687
  • 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 J004-1687 available by request