8011-5682 Screening compound: 3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazino}benzoic acid

8011-5682 Screening compound: 3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazino}benzoic acid
8011-5682 Screening compound: 3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5682
3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazino}benzoic acid

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

8011-5682

Molecular Formula

C18H15F3N4O6 (C18 H15 F3 N4 O6)

Compound Name

3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazino}benzoic acid

IUPAC name

35-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid

SMILES

[O-][N+](c(cc1C(O)=O)cc([N+]([O-])=O)c1N(CC1)CCN1c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C18H15F3N4O6/c19-18(20,21)11-2-1-3-12(8-11)22-4-6-23(7-5-22)16-14(17(26)27)9-13(24(28)29)10-15(16)25(30)31/h1-3,8-10H,4-7H2,(H,26,27)

InChI Key

QFOCCWHTDQRFNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932772

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

440.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

0.707

Water Solubility, LogSw

-4.37

Polar Surface Area

101.220

Acid Dissociation Constant (pKa)

3.80

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with 8011-5682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5682?
Check Price and Availability of 8011-5682, 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 8011-5682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5682
  • 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 8011-5682 available by request