6434-3809 Screening compound: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)-1,2-dihydrophthalazin-1-one

6434-3809 Screening compound: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)-1,2-dihydrophthalazin-1-one
6434-3809 Screening compound: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6434-3809
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)-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

6434-3809

Molecular Formula

C21H21N5O4 (C21 H21 N5 O4)

Compound Name

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)-1,2-dihydrophthalazin-1-one

IUPAC name

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)-12-dihydrophthalazin-1-one

SMILES

CN(CC1)CCN1C(CN1N=C(c2cccc([N+]([O-])=O)c2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C21H21N5O4/c1-23-9-11-24(12-10-23)19(27)14-25-21(28)18-8-3-2-7-17(18)20(22-25)15-5-4-6-16(13-15)26(29)30/h2-8,13H,9-12,14H2,1H3

InChI Key

ROHZGOWWHJTBGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05701671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.415

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-2.39

Polar Surface Area

80.446

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 6434-3809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6434-3809?
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What is the minimum amount of 6434-3809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6434-3809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6434-3809
  • 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 6434-3809 available by request