J004-1783 Screening compound: 5-[1-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-3-(propan-2-yl)-1,2-oxazole

J004-1783 Screening compound: 5-[1-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-3-(propan-2-yl)-1,2-oxazole
J004-1783 Screening compound: 5-[1-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-3-(propan-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1783
5-[1-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-3-(propan-2-yl)-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

J004-1783

Molecular Formula

C15H19ClN4O2 (C15 H19 ClN4 O2)

Compound Name

5-[1-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-3-(propan-2-yl)-1,2-oxazole

IUPAC name

5-[1-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-3-(propan-2-yl)-12-oxazole

SMILES

CC(C)c1noc(C(CCC2)N2C(c2nn(C)cc2Cl)=O)c1

InChI

InChI=1S/C15H19ClN4O2/c1-9(2)11-7-13(22-18-11)12-5-4-6-20(12)15(21)14-10(16)8-19(3)17-14/h7-9,12H,4-6H2,1-3H3/t12-/m0/s1

InChI Key

HRIILICPEIRXIT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27215141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.91

Polar Surface Area

53.837

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

J004-1783 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Neuropeptide S Library (2850 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with J004-1783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1783?
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What is the minimum amount of J004-1783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1783
  • 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 J004-1783 available by request