F076-0594 Screening compound: 1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

F076-0594 Screening compound: 1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one
F076-0594 Screening compound: 1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-0594
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-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

F076-0594

Molecular Formula

C22H15N5O9 (C22 H15 N5 O9)

Compound Name

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

IUPAC name

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

SMILES

CC(N1N=C(c(cc2)ccc2[N+]([O-])=O)OC1c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H15N5O9/c1-13(28)24-22(36-21(23-24)14-2-6-16(7-3-14)25(29)30)15-4-9-18(10-5-15)35-20-11-8-17(26(31)32)12-19(20)27(33)34/h2-12,22H,1H3/t22-/m0/s1

InChI Key

XIQJMZSAXIHOGW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27099534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.39

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.52

Polar Surface Area

141.929

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F076-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-0594?
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What is the minimum amount of F076-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-0594
  • 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 F076-0594 available by request