J004-1908 Screening compound: 5-ethyl-3-methyl-4-{1-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-yl}-1,2-oxazole

J004-1908 Screening compound: 5-ethyl-3-methyl-4-{1-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-yl}-1,2-oxazole
J004-1908 Screening compound: 5-ethyl-3-methyl-4-{1-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-yl}-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1908
5-ethyl-3-methyl-4-{1-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-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

J004-1908

Molecular Formula

C16H19F3N4O2 (C16 H19 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C(CCC2)N2C(c2nn(C)c(C(F)(F)F)c2)=O)c(C)no1

InChI

InChI=1S/C16H19F3N4O2/c1-4-12-14(9(2)21-25-12)11-6-5-7-23(11)15(24)10-8-13(16(17,18)19)22(3)20-10/h8,11H,4-7H2,1-3H3/t11-/m0/s1

InChI Key

LFRNSJNCJGRVGN-NSHDSACASA-N

MDL Number (MFCD)

MFCD27215203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-2.18

Polar Surface Area

51.978

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

J004-1908 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J004-1908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1908?
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What is the minimum amount of J004-1908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1908
  • 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 J004-1908 available by request