F076-1325 Screening compound: 1-{5-[3-(naphthalen-2-yl)-1H-pyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

F076-1325 Screening compound: 1-{5-[3-(naphthalen-2-yl)-1H-pyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one
F076-1325 Screening compound: 1-{5-[3-(naphthalen-2-yl)-1H-pyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-1325
1-{5-[3-(naphthalen-2-yl)-1H-pyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-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

F076-1325

Molecular Formula

C24H17F3N4O2 (C24 H17 F3 N4 O2)

Compound Name

1-{5-[3-(naphthalen-2-yl)-1H-pyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

IUPAC name

1-{5-[3-(naphthalen-2-yl)-1H-pyrazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-23-dihydro-134-oxadiazol-3-yl}ethan-1-one

SMILES

CC(N1N=C(c2cc(-c3cc4ccccc4cc3)n[nH]2)OC1c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C24H17F3N4O2/c1-14(32)31-23(18-8-4-5-9-19(18)24(25,26)27)33-22(30-31)21-13-20(28-29-21)17-11-10-15-6-2-3-7-16(15)12-17/h2-13,23H,1H3,(H,28,29)/t23-/m0/s1

InChI Key

VMHOYYOZIPKHAK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14939898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.892

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-6.41

Polar Surface Area

57.469

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

F076-1325 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F076-1325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-1325?
Check Price and Availability of F076-1325, 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 F076-1325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-1325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-1325
  • 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 F076-1325 available by request