8011-1113 Screening compound: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine

8011-1113 Screening compound: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
8011-1113 Screening compound: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1113
1-[(4-chlorophenyl)(phenyl)methyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine

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

8011-1113

Molecular Formula

C24H20ClF3N4O4 (C24 H20 ClF3 N4 O4)

Compound Name

1-[(4-chlorophenyl)(phenyl)methyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-[(4-chlorophenyl)(phenyl)methyl]-4-[26-dinitro-4-(trifluoromethyl)phenyl]piperazine

SMILES

[O-][N+](c1cc(C(F)(F)F)cc([N+]([O-])=O)c1N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H20ClF3N4O4/c25-19-8-6-17(7-9-19)22(16-4-2-1-3-5-16)29-10-12-30(13-11-29)23-20(31(33)34)14-18(24(26,27)28)15-21(23)32(35)36/h1-9,14-15,22H,10-13H2/t22-/m0/s1

InChI Key

VKTGCJVCOJANOJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02625895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.158

Distribution Coefficient, logD

7.156

Water Solubility, LogSw

-6.81

Polar Surface Area

71.812

Acid Dissociation Constant (pKa)

24.59

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8011-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1113?
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What is the minimum amount of 8011-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1113
  • 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 8011-1113 available by request