J004-1218 Screening compound: 3-{1-[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-5-methyl-1,2-oxazole

J004-1218 Screening compound: 3-{1-[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-5-methyl-1,2-oxazole
J004-1218 Screening compound: 3-{1-[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-5-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1218
3-{1-[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidin-2-yl}-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

J004-1218

Molecular Formula

C23H21F2N5O3 (C23 H21 F2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(CCC2)N2C(c(cnn2c(C(F)F)c3)c2nc3-c(cccc2)c2OC)=O)no1

InChI

InChI=1S/C23H21F2N5O3/c1-13-10-17(28-33-13)18-7-5-9-29(18)23(31)15-12-26-30-19(21(24)25)11-16(27-22(15)30)14-6-3-4-8-20(14)32-2/h3-4,6,8,10-12,18,21H,5,7,9H2,1-2H3/t18-/m0/s1

InChI Key

WYTIHLXEVHLLOC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD18487182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.59

Polar Surface Area

64.463

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

J004-1218 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J004-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1218?
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What is the minimum amount of J004-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1218
  • 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 J004-1218 available by request