G856-8759 Screening compound: N-benzyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine

G856-8759 Screening compound: N-benzyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine
G856-8759 Screening compound: N-benzyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8759
N-benzyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine

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

G856-8759

Molecular Formula

C23H22F3N5O (C23 H22 F3 N5 O)

Compound Name

N-benzyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine

IUPAC name

N-benzyl-6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-amine

SMILES

O=C(c1ccc(C(F)(F)F)cc1)N(CC1)CCN1c(cc1)nnc1NCc1ccccc1

InChI

InChI=1S/C23H22F3N5O/c24-23(25,26)19-8-6-18(7-9-19)22(32)31-14-12-30(13-15-31)21-11-10-20(28-29-21)27-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,27,28)

InChI Key

KPCKLHYKGKQCFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07646552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.10

Polar Surface Area

52.155

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G856-8759 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G856-8759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8759?
Check Price and Availability of G856-8759, 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 G856-8759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8759
  • 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 G856-8759 available by request