J004-1076 Screening compound: 3-methyl-5-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-1,2-oxazole

J004-1076 Screening compound: 3-methyl-5-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-1,2-oxazole
J004-1076 Screening compound: 3-methyl-5-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1076
3-methyl-5-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-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

J004-1076

Molecular Formula

C22H18F3N5O2 (C22 H18 F3 N5 O2)

Compound Name

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

IUPAC name

3-methyl-5-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-12-oxazole

SMILES

Cc1noc(C(CCC2)N2C(c(cnn2c(C(F)(F)F)c3)c2nc3-c2ccccc2)=O)c1

InChI

InChI=1S/C22H18F3N5O2/c1-13-10-18(32-28-13)17-8-5-9-29(17)21(31)15-12-26-30-19(22(23,24)25)11-16(27-20(15)30)14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3/t17-/m0/s1

InChI Key

TXRYGNQQFGROLF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27214847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.41

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

4.090

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.09

Polar Surface Area

57.218

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

J004-1076 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J004-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1076?
Check Price and Availability of J004-1076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J004-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1076
  • 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 J004-1076 available by request