C735-0133 Screening compound: 1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

C735-0133 Screening compound: 1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
C735-0133 Screening compound: 1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C735-0133
1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-[3-(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

C735-0133

Molecular Formula

C20H17F3N6 (C20 H17 F3 N6)

Compound Name

1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{[124]triazolo[43-a]quinoxalin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

FC(c1cc(N(CC2)CCN2c2nc(cccc3)c3n3c2nnc3)ccc1)(F)F

InChI

InChI=1S/C20H17F3N6/c21-20(22,23)14-4-3-5-15(12-14)27-8-10-28(11-9-27)18-19-26-24-13-29(19)17-7-2-1-6-16(17)25-18/h1-7,12-13H,8-11H2

InChI Key

XKFZLNBKFCWFOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.19

Polar Surface Area

37.172

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C735-0133 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C735-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C735-0133?
Check Price and Availability of C735-0133, 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 C735-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C735-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C735-0133
  • 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 C735-0133 available by request