J004-1693 Screening compound: 1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethan-1-one

J004-1693 Screening compound: 1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethan-1-one
J004-1693 Screening compound: 1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1693
1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethan-1-one

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

J004-1693

Molecular Formula

C19H23F3N4O2 (C19 H23 F3 N4 O2)

Compound Name

1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethan-1-one

IUPAC name

1-[2-(3-ethyl-12-oxazol-5-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4567-tetrahydro-1H-indazol-1-yl]ethan-1-one

SMILES

CCc1noc(C(CCC2)N2C(Cn2nc(C(F)(F)F)c3c2CCCC3)=O)c1

InChI

InChI=1S/C19H23F3N4O2/c1-2-12-10-16(28-24-12)15-8-5-9-25(15)17(27)11-26-14-7-4-3-6-13(14)18(23-26)19(20,21)22/h10,15H,2-9,11H2,1H3/t15-/m0/s1

InChI Key

ZRLZPXPWYPOZKT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD18486954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-2.95

Polar Surface Area

53.102

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

J004-1693 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J004-1693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1693?
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What is the minimum amount of J004-1693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1693
  • 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 J004-1693 available by request