J004-1874 Screening compound: 3-(2-chloro-6-fluorophenyl)-4-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole

J004-1874 Screening compound: 3-(2-chloro-6-fluorophenyl)-4-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole
J004-1874 Screening compound: 3-(2-chloro-6-fluorophenyl)-4-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1874
3-(2-chloro-6-fluorophenyl)-4-[2-(5-ethyl-3-methyl-1,2-oxazol-4-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

J004-1874

Molecular Formula

C21H21ClFN3O3 (C21 H21 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C(CCC2)N2C(c2c(C)onc2-c(c(F)ccc2)c2Cl)=O)c(C)no1

InChI

InChI=1S/C21H21ClFN3O3/c1-4-16-17(11(2)24-29-16)15-9-6-10-26(15)21(27)18-12(3)28-25-20(18)19-13(22)7-5-8-14(19)23/h5,7-8,15H,4,6,9-10H2,1-3H3/t15-/m0/s1

InChI Key

QIGRRQONYHKYQK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15077656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

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

3.543

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-4.24

Polar Surface Area

60.422

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

J004-1874 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

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
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J004-1874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1874?
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What is the minimum amount of J004-1874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1874
  • 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 J004-1874 available by request