V012-3849 Screening compound: 3-{[3-(propan-2-yl)phenoxy]methyl}-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

V012-3849 Screening compound: 3-{[3-(propan-2-yl)phenoxy]methyl}-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
V012-3849 Screening compound: 3-{[3-(propan-2-yl)phenoxy]methyl}-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3849
3-{[3-(propan-2-yl)phenoxy]methyl}-5-[4-(trifluoromethyl)phenyl]-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

V012-3849

Molecular Formula

C19H17F3N2O2 (C19 H17 F3 N2 O2)

Compound Name

3-{[3-(propan-2-yl)phenoxy]methyl}-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC name

3-{[3-(propan-2-yl)phenoxy]methyl}-5-[4-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

CC(C)c1cccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)c1

InChI

InChI=1S/C19H17F3N2O2/c1-12(2)14-4-3-5-16(10-14)25-11-17-23-18(26-24-17)13-6-8-15(9-7-13)19(20,21)22/h3-10,12H,11H2,1-2H3

InChI Key

XXLRFLXPZBFFJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14286897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.723

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.64

Polar Surface Area

40.134

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with V012-3849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3849?
Check Price and Availability of V012-3849, 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 V012-3849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3849
  • 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 V012-3849 available by request