D262-0466 Screening compound: 2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

D262-0466 Screening compound: 2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
D262-0466 Screening compound: 2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D262-0466
2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

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

D262-0466

Molecular Formula

C21H18F3N3O2 (C21 H18 F3 N3 O2)

Compound Name

2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

IUPAC name

2-(6-oxo-3-phenyl-16-dihydropyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

SMILES

CCC(C(Nc1c(C(F)(F)F)cccc1)=O)N(C(C=C1)=O)N=C1c1ccccc1

InChI

InChI=1S/C21H18F3N3O2/c1-2-18(20(29)25-17-11-7-6-10-15(17)21(22,23)24)27-19(28)13-12-16(26-27)14-8-4-3-5-9-14/h3-13,18H,2H2,1H3,(H,25,29)/t18-/m0/s1

InChI Key

LWTKTFNKZNLHCA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD11852252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.44

Polar Surface Area

49.330

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D262-0466 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D262-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D262-0466?
Check Price and Availability of D262-0466, 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 D262-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D262-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D262-0466
  • 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 D262-0466 available by request