J004-1694 Screening compound: 1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one

J004-1694 Screening compound: 1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
J004-1694 Screening compound: 1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1694
1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-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

J004-1694

Molecular Formula

C16H19F3N4O2 (C16 H19 F3 N4 O2)

Compound Name

1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

1-[2-(3-ethyl-12-oxazol-5-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one

SMILES

CCc1noc(C(CCC2)N2C(Cn2nc(C(F)(F)F)cc2C)=O)c1

InChI

InChI=1S/C16H19F3N4O2/c1-3-11-8-13(25-21-11)12-5-4-6-22(12)15(24)9-23-10(2)7-14(20-23)16(17,18)19/h7-8,12H,3-6,9H2,1-2H3/t12-/m0/s1

InChI Key

OIPDEDIWKHQKHC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD18485731

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.10

Polar Surface Area

52.650

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

J004-1694 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J004-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1694?
Check Price and Availability of J004-1694, 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 J004-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1694
  • 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 J004-1694 available by request