6220-1159 Screening compound: 6-hydroxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2,3-dihydropyridazin-3-one

6220-1159 Screening compound: 6-hydroxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2,3-dihydropyridazin-3-one
6220-1159 Screening compound: 6-hydroxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-1159
6-hydroxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-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

6220-1159

Molecular Formula

C15H17N5O4 (C15 H17 N5 O4)

Compound Name

6-hydroxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2,3-dihydropyridazin-3-one

IUPAC name

6-hydroxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-23-dihydropyridazin-3-one

SMILES

[O-][N+](c(cc1)ccc1N1CCN(CN(C(C=C2)=O)N=C2O)CC1)=O

InChI

InChI=1S/C15H17N5O4/c21-14-5-6-15(22)19(16-14)11-17-7-9-18(10-8-17)12-1-3-13(4-2-12)20(23)24/h1-6H,7-11H2,(H,16,21)

InChI Key

JJYVRDHCJHBYMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.836

Distribution Coefficient, logD

0.803

Water Solubility, LogSw

-1.42

Polar Surface Area

87.251

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6220-1159 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 6220-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-1159?
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What is the minimum amount of 6220-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-1159
  • 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 6220-1159 available by request