J004-1587 Screening compound: 4-{1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidin-2-yl}-3,5-dimethyl-1,2-oxazole

J004-1587 Screening compound: 4-{1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidin-2-yl}-3,5-dimethyl-1,2-oxazole
J004-1587 Screening compound: 4-{1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidin-2-yl}-3,5-dimethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1587
4-{1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidin-2-yl}-3,5-dimethyl-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

J004-1587

Molecular Formula

C20H20F3N5O2 (C20 H20 F3 N5 O2)

Compound Name

4-{1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidin-2-yl}-3,5-dimethyl-1,2-oxazole

IUPAC name

4-{1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]pyrrolidin-2-yl}-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1C(CCC1)N1C(c1nn2c(C(F)(F)F)cc(C3CC3)nc2c1)=O

InChI

InChI=1S/C20H20F3N5O2/c1-10-18(11(2)30-26-10)15-4-3-7-27(15)19(29)14-9-17-24-13(12-5-6-12)8-16(20(21,22)23)28(17)25-14/h8-9,12,15H,3-7H2,1-2H3/t15-/m0/s1

InChI Key

GZJNDOKYYUNHRA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15077630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.37

Polar Surface Area

57.396

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J004-1587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J004-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1587?
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What is the minimum amount of J004-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1587
  • 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 J004-1587 available by request