8018-3436 Screening compound: 4-chloro-2-phenyl-5-[4-(2-phenylbutanoyl)piperazino]-3(2H)-pyridazinone

8018-3436 Screening compound: 4-chloro-2-phenyl-5-[4-(2-phenylbutanoyl)piperazino]-3(2H)-pyridazinone
8018-3436 Screening compound: 4-chloro-2-phenyl-5-[4-(2-phenylbutanoyl)piperazino]-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3436
4-chloro-2-phenyl-5-[4-(2-phenylbutanoyl)piperazino]-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

8018-3436

Molecular Formula

C24H25ClN4O2 (C24 H25 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H25ClN4O2/c1-2-20(18-9-5-3-6-10-18)23(30)28-15-13-27(14-16-28)21-17-26-29(24(31)22(21)25)19-11-7-4-8-12-19/h3-12,17,20H,2,13-16H2,1H3/t20-/m1/s1

InChI Key

XWPPZAWXDBTKTQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07658093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.44

Polar Surface Area

47.444

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

8018-3436 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 8018-3436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3436?
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What is the minimum amount of 8018-3436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3436
  • 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 8018-3436 available by request