C696-0076 Screening compound: 1-(4-benzylpiperazin-1-yl)-4-[(pyridin-3-yl)methyl]phthalazine

C696-0076 Screening compound: 1-(4-benzylpiperazin-1-yl)-4-[(pyridin-3-yl)methyl]phthalazine
C696-0076 Screening compound: 1-(4-benzylpiperazin-1-yl)-4-[(pyridin-3-yl)methyl]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0076
1-(4-benzylpiperazin-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

C696-0076

Molecular Formula

C25H25N5 (C25 H25 N5)

Compound Name

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

IUPAC name

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

SMILES

C(c1cnccc1)c(c1ccccc11)nnc1N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H25N5/c1-2-7-20(8-3-1)19-29-13-15-30(16-14-29)25-23-11-5-4-10-22(23)24(27-28-25)17-21-9-6-12-26-18-21/h1-12,18H,13-17,19H2

InChI Key

VFHNWOUFFGHTOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.29

Polar Surface Area

39.148

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C696-0076 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C696-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0076?
Check Price and Availability of C696-0076, 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 C696-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0076
  • 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 C696-0076 available by request