8016-9095 Screening compound: 4-chloro-5-[4-(2-furylcarbonyl)piperazino]-2-phenyl-3(2H)-pyridazinone

8016-9095 Screening compound: 4-chloro-5-[4-(2-furylcarbonyl)piperazino]-2-phenyl-3(2H)-pyridazinone
8016-9095 Screening compound: 4-chloro-5-[4-(2-furylcarbonyl)piperazino]-2-phenyl-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9095
4-chloro-5-[4-(2-furylcarbonyl)piperazino]-2-phenyl-3(2H)-pyridazinone

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

8016-9095

Molecular Formula

C19H17ClN4O3 (C19 H17 ClN4 O3)

Compound Name

4-chloro-5-[4-(2-furylcarbonyl)piperazino]-2-phenyl-3(2H)-pyridazinone

IUPAC name

4-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-23-dihydropyridazin-3-one

SMILES

O=C(c1ccco1)N(CC1)CCN1C(C=NN(c1ccccc1)C1=O)=C1Cl

InChI

InChI=1S/C19H17ClN4O3/c20-17-15(13-21-24(19(17)26)14-5-2-1-3-6-14)22-8-10-23(11-9-22)18(25)16-7-4-12-27-16/h1-7,12-13H,8-11H2

InChI Key

YBTZIXJXWYDUSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05794972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-2.78

Polar Surface Area

56.022

Acid Dissociation Constant (pKa)

29.94

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8016-9095 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 8016-9095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9095?
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What is the minimum amount of 8016-9095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9095
  • 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 8016-9095 available by request