5481-0027 Screening compound: 2-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2,3-dihydropyridazin-3-one

5481-0027 Screening compound: 2-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2,3-dihydropyridazin-3-one
5481-0027 Screening compound: 2-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5481-0027
2-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2,3-dihydropyridazin-3-one

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

5481-0027

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

2-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2,3-dihydropyridazin-3-one

IUPAC name

2-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-23-dihydropyridazin-3-one

SMILES

OC(C=C1)=NN(CN2CCN(Cc3ccccc3)CC2)C1=O

InChI

InChI=1S/C16H20N4O2/c21-15-6-7-16(22)20(17-15)13-19-10-8-18(9-11-19)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,17,21)

InChI Key

YNFAPDZMRDLLNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.469

Distribution Coefficient, logD

-0.043

Water Solubility, LogSw

-1.24

Polar Surface Area

54.150

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5481-0027 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 5481-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5481-0027?
Check Price and Availability of 5481-0027, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5481-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5481-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5481-0027
  • 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 5481-0027 available by request