F076-0582 Screening compound: 1-[5-(4-chlorophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

F076-0582 Screening compound: 1-[5-(4-chlorophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one
F076-0582 Screening compound: 1-[5-(4-chlorophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-0582
1-[5-(4-chlorophenyl)-2-[4-(2,4-dinitrophenoxy)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

F076-0582

Molecular Formula

C22H15ClN4O7 (C22 H15 ClN4 O7)

Compound Name

1-[5-(4-chlorophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

IUPAC name

1-[5-(4-chlorophenyl)-2-[4-(24-dinitrophenoxy)phenyl]-23-dihydro-134-oxadiazol-3-yl]ethan-1-one

SMILES

CC(N1N=C(c(cc2)ccc2Cl)OC1c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H15ClN4O7/c1-13(28)25-22(34-21(24-25)14-2-6-16(23)7-3-14)15-4-9-18(10-5-15)33-20-11-8-17(26(29)30)12-19(20)27(31)32/h2-12,22H,1H3/t22-/m1/s1

InChI Key

MZYWVGYWDIJLJJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27099530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.84

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-5.46

Polar Surface Area

108.548

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F076-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-0582?
Check Price and Availability of F076-0582, 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 F076-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-0582
  • 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 F076-0582 available by request