J004-1696 Screening compound: 5-[1-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole

J004-1696 Screening compound: 5-[1-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
J004-1696 Screening compound: 5-[1-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1696
5-[1-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-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

J004-1696

Molecular Formula

C14H17BrN4O2 (C14 H17 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1noc(C(CCC2)N2C(c(n(C)nc2)c2Br)=O)c1

InChI

InChI=1S/C14H17BrN4O2/c1-3-9-7-12(21-17-9)11-5-4-6-19(11)14(20)13-10(15)8-16-18(13)2/h7-8,11H,3-6H2,1-2H3/t11-/m0/s1

InChI Key

ZCBIPJJWBJLWGL-NSHDSACASA-N

MDL Number (MFCD)

MFCD27215091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.22

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

1.901

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-2.01

Polar Surface Area

52.493

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J004-1696 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J004-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1696?
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What is the minimum amount of J004-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1696
  • 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 J004-1696 available by request