S360-0031 Screening compound: 3-methyl-3'-[3-(trifluoromethyl)phenyl]-5,5'-bi-1,2,4-oxadiazole

S360-0031 Screening compound: 3-methyl-3'-[3-(trifluoromethyl)phenyl]-5,5'-bi-1,2,4-oxadiazole
S360-0031 Screening compound: 3-methyl-3'-[3-(trifluoromethyl)phenyl]-5,5'-bi-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S360-0031
3-methyl-3'-[3-(trifluoromethyl)phenyl]-5,5'-bi-1,2,4-oxadiazole

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

S360-0031

Molecular Formula

C12H7F3N4O2 (C12 H7 F3 N4 O2)

Compound Name

3-methyl-3'-[3-(trifluoromethyl)phenyl]-5,5'-bi-1,2,4-oxadiazole

IUPAC name

n/a

SMILES

Cc1noc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)n1

InChI

InChI=1S/C12H7F3N4O2/c1-6-16-10(20-18-6)11-17-9(19-21-11)7-3-2-4-8(5-7)12(13,14)15/h2-5H,1H3

InChI Key

JGEVLATURRUWMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28052990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.36

Polar Surface Area

63.206

Acid Dissociation Constant (pKa)

32.47

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S360-0031 in Drug Discovery

Included in Screening Libraries

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S360-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S360-0031?
Check Price and Availability of S360-0031, 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 S360-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S360-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S360-0031
  • 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 S360-0031 available by request