F046-0407 Screening compound: N-CYCLOPENTYL-2-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ACETAMIDE

F046-0407 Screening compound: N-CYCLOPENTYL-2-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ACETAMIDE
F046-0407 Screening compound: N-CYCLOPENTYL-2-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F046-0407
N-CYCLOPENTYL-2-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}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

F046-0407

Molecular Formula

C21H26FN5O2 (C21 H26 FN5 O2)

Compound Name

N-CYCLOPENTYL-2-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CN(C(C=C1)=O)N=C1N(CC1)CCN1c(cc1)ccc1F)NC1CCCC1

InChI

InChI=1S/C21H26FN5O2/c22-16-5-7-18(8-6-16)25-11-13-26(14-12-25)19-9-10-21(29)27(24-19)15-20(28)23-17-3-1-2-4-17/h5-10,17H,1-4,11-15H2,(H,23,28)

InChI Key

DZEAXTUHQCNBKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.74

Polar Surface Area

59.947

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F046-0407 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F046-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F046-0407?
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What is the minimum amount of F046-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F046-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F046-0407
  • 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 F046-0407 available by request