J075-0521 Screening compound: 4,4,4-trifluoro-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide

J075-0521 Screening compound: 4,4,4-trifluoro-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
J075-0521 Screening compound: 4,4,4-trifluoro-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J075-0521
4,4,4-trifluoro-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide

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

J075-0521

Molecular Formula

C13H12F3N3O2 (C13 H12 F3 N3 O2)

Compound Name

4,4,4-trifluoro-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide

IUPAC name

444-trifluoro-N-[(5-phenyl-124-oxadiazol-3-yl)methyl]butanamide

SMILES

O=C(CCC(F)(F)F)NCc1noc(-c2ccccc2)n1

InChI

InChI=1S/C13H12F3N3O2/c14-13(15,16)7-6-11(20)17-8-10-18-12(21-19-10)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,20)

InChI Key

OKBCWQJEIARBGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.48

Polar Surface Area

57.378

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

J075-0521 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J075-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J075-0521?
Check Price and Availability of J075-0521, 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 J075-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J075-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J075-0521
  • 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 J075-0521 available by request