8007-0774 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

8007-0774 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
8007-0774 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0774
3-[4-(3,5-dinitrophenoxy)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-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

8007-0774

Molecular Formula

C25H23FN4O6 (C25 H23 FN4 O6)

Compound Name

3-[4-(3,5-dinitrophenoxy)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[4-(35-dinitrophenoxy)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

[O-][N+](c1cc(Oc2ccc(CCC(N(CC3)CCN3c(cc3)ccc3F)=O)cc2)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C25H23FN4O6/c26-19-4-6-20(7-5-19)27-11-13-28(14-12-27)25(31)10-3-18-1-8-23(9-2-18)36-24-16-21(29(32)33)15-22(17-24)30(34)35/h1-2,4-9,15-17H,3,10-14H2

InChI Key

JORBPWQXOSWVQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.95

Polar Surface Area

93.130

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 8007-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0774?
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What is the minimum amount of 8007-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0774
  • 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 8007-0774 available by request