C791-0437 Screening compound: 2-(1H-indazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

C791-0437 Screening compound: 2-(1H-indazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
C791-0437 Screening compound: 2-(1H-indazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0437
2-(1H-indazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-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

C791-0437

Molecular Formula

C20H19F3N4O (C20 H19 F3 N4 O)

Compound Name

2-(1H-indazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(1H-indazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(Cn1ncc2c1cccc2)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-6-17(12-16)25-8-10-26(11-9-25)19(28)14-27-18-7-2-1-4-15(18)13-24-27/h1-7,12-13H,8-11,14H2

InChI Key

QMVZVNSRWCHHDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.182

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.40

Polar Surface Area

33.323

Acid Dissociation Constant (pKa)

24.87

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C791-0437 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Annotated Library (688 compounds)

GABA Library (7115 compounds)

Human GPCR Annotated Library (5539 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
Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C791-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0437?
Check Price and Availability of C791-0437, 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 C791-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0437
  • 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 C791-0437 available by request