V009-4204 Screening compound: 3-[(naphthalen-1-yloxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

V009-4204 Screening compound: 3-[(naphthalen-1-yloxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
V009-4204 Screening compound: 3-[(naphthalen-1-yloxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4204
3-[(naphthalen-1-yloxy)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

V009-4204

Molecular Formula

C20H13F3N2O2 (C20 H13 F3 N2 O2)

Compound Name

3-[(naphthalen-1-yloxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC name

3-[(naphthalen-1-yloxy)methyl]-5-[4-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

FC(c(cc1)ccc1-c1nc(COc2cccc3ccccc23)no1)(F)F

InChI

InChI=1S/C20H13F3N2O2/c21-20(22,23)15-10-8-14(9-11-15)19-24-18(25-27-19)12-26-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2

InChI Key

LELGHRYMJINLPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14286894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.981

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-7.26

Polar Surface Area

39.949

Acid Dissociation Constant (pKa)

33.36

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V009-4204 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V009-4204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4204?
Check Price and Availability of V009-4204, 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 V009-4204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4204
  • 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 V009-4204 available by request