F978-0217 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carboxamide

F978-0217 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carboxamide
F978-0217 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F978-0217
N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carboxamide

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

F978-0217

Molecular Formula

C21H18BrF2N5O2 (C21 H18 BrF2 N5 O2)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-16-dihydropyridazin-3-yl]piperazine-1-carboxamide

SMILES

O=C(Nc(ccc(Br)c1)c1F)N(CC1)CCN1C(C=C1)=NN(c(cc2)ccc2F)C1=O

InChI

InChI=1S/C21H18BrF2N5O2/c22-14-1-6-18(17(24)13-14)25-21(31)28-11-9-27(10-12-28)19-7-8-20(30)29(26-19)16-4-2-15(23)3-5-16/h1-8,13H,9-12H2,(H,25,31)

InChI Key

FONQKJVADMMELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.05

Polar Surface Area

55.284

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F978-0217 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F978-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F978-0217?
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What is the minimum amount of F978-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F978-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F978-0217
  • 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 F978-0217 available by request