C696-0046 Screening compound: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-[(pyridin-3-yl)methyl]phthalazine

C696-0046 Screening compound: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-[(pyridin-3-yl)methyl]phthalazine
C696-0046 Screening compound: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-[(pyridin-3-yl)methyl]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0046
1-[4-(4-nitrophenyl)piperazin-1-yl]-4-[(pyridin-3-yl)methyl]phthalazine

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

C696-0046

Molecular Formula

C24H22N6O2 (C24 H22 N6 O2)

Compound Name

1-[4-(4-nitrophenyl)piperazin-1-yl]-4-[(pyridin-3-yl)methyl]phthalazine

IUPAC name

1-[4-(4-nitrophenyl)piperazin-1-yl]-4-[(pyridin-3-yl)methyl]phthalazine

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1c1nnc(Cc2cnccc2)c2ccccc12)=O

InChI

InChI=1S/C24H22N6O2/c31-30(32)20-9-7-19(8-10-20)28-12-14-29(15-13-28)24-22-6-2-1-5-21(22)23(26-27-24)16-18-4-3-11-25-17-18/h1-11,17H,12-16H2

InChI Key

YAIPHROMDNSGLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.03

Polar Surface Area

72.249

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C696-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0046?
Check Price and Availability of C696-0046, 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 C696-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0046
  • 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 C696-0046 available by request