F076-2401 Screening compound: N-{3-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

F076-2401 Screening compound: N-{3-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide
F076-2401 Screening compound: N-{3-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-2401
N-{3-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

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

F076-2401

Molecular Formula

C24H19ClFN3O3 (C24 H19 ClFN3 O3)

Compound Name

N-{3-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

IUPAC name

N-{3-[4-acetyl-5-(4-fluorophenyl)-5-methyl-45-dihydro-134-oxadiazol-2-yl]phenyl}-3-chlorobenzamide

SMILES

CC1(c(cc2)ccc2F)OC(c2cccc(NC(c3cccc(Cl)c3)=O)c2)=NN1C(C)=O

InChI

InChI=1S/C24H19ClFN3O3/c1-15(30)29-24(2,18-9-11-20(26)12-10-18)32-23(28-29)17-6-4-8-21(14-17)27-22(31)16-5-3-7-19(25)13-16/h3-14H,1-2H3,(H,27,31)/t24-/m0/s1

InChI Key

ZKZIVJZCSJXQQZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27099662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.200

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.71

Polar Surface Area

57.474

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

F076-2401 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 F076-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-2401?
Check Price and Availability of F076-2401, 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 F076-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-2401
  • 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 F076-2401 available by request