8012-0447 Screening compound: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}-2H-indazol-1-ium-1-olate

8012-0447 Screening compound: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}-2H-indazol-1-ium-1-olate
8012-0447 Screening compound: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}-2H-indazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0447
4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}-2H-indazol-1-ium-1-olate

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

8012-0447

Molecular Formula

C21H11F6N5O7 (C21 H11 F6 N5 O7)

Compound Name

4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}-2H-indazol-1-ium-1-olate

IUPAC name

46-dinitro-2-[4-(trifluoromethoxy)phenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}-2H-indazol-1-ium-1-olate

SMILES

[O-][N+](c(cc(c1c(Nc(cc2)ccc2OC(F)(F)F)n2-c(cc3)ccc3OC(F)(F)F)[N+]([O-])=O)cc1[n+]2[O-])=O

InChI

InChI=1S/C21H11F6N5O7/c22-20(23,24)38-14-5-1-11(2-6-14)28-19-18-16(9-13(31(34)35)10-17(18)32(36)37)30(33)29(19)12-3-7-15(8-4-12)39-21(25,26)27/h1-10,28H

InChI Key

DPVHIIJAXSISIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.106

Distribution Coefficient, logD

7.106

Water Solubility, LogSw

-6.56

Polar Surface Area

109.190

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8012-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0447?
Check Price and Availability of 8012-0447, 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 8012-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0447
  • 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 8012-0447 available by request