5609-1267 Screening compound: 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one

5609-1267 Screening compound: 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one
5609-1267 Screening compound: 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5609-1267
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2-dihydrophthalazin-1-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

5609-1267

Molecular Formula

C26H25N5O3 (C26 H25 N5 O3)

Compound Name

4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one

IUPAC name

4-(34-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]-12-dihydrophthalazin-1-one

SMILES

Cc(cc1)c(C)cc1C(c1c2cccc1)=NN(c(cc(cc1)N3CCNCC3)c1[N+]([O-])=O)C2=O

InChI

InChI=1S/C26H25N5O3/c1-17-7-8-19(15-18(17)2)25-21-5-3-4-6-22(21)26(32)30(28-25)24-16-20(9-10-23(24)31(33)34)29-13-11-27-12-14-29/h3-10,15-16,27H,11-14H2,1-2H3

InChI Key

FTNQRMOHYFMJRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-4.28

Polar Surface Area

73.969

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5609-1267 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5609-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5609-1267?
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What is the minimum amount of 5609-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5609-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5609-1267
  • 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 5609-1267 available by request