F046-0470 Screening compound: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

F046-0470 Screening compound: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
F046-0470 Screening compound: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F046-0470
2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

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

F046-0470

Molecular Formula

C23H21F4N5O3 (C23 H21 F4 N5 O3)

Compound Name

2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-16-dihydropyridazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CN(C(C=C1)=O)N=C1N(CC1)CCN1c(cc1)ccc1F)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C23H21F4N5O3/c24-16-1-5-18(6-2-16)30-11-13-31(14-12-30)20-9-10-22(34)32(29-20)15-21(33)28-17-3-7-19(8-4-17)35-23(25,26)27/h1-10H,11-15H2,(H,28,33)

InChI Key

PQRIXBAXZQCENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.24

Polar Surface Area

64.470

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F046-0470 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F046-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F046-0470?
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What is the minimum amount of F046-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F046-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F046-0470
  • 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 F046-0470 available by request