C696-0437 Screening compound: 1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-[(pyridin-4-yl)methyl]phthalazine

C696-0437 Screening compound: 1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-[(pyridin-4-yl)methyl]phthalazine
C696-0437 Screening compound: 1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-[(pyridin-4-yl)methyl]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0437
1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-[(pyridin-4-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

C696-0437

Molecular Formula

C26H27N5 (C26 H27 N5)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)c2nnc(Cc3ccncc3)c3ccccc23)N1c1ccc(C)cc1

InChI

InChI=1S/C26H27N5/c1-19-7-9-22(10-8-19)31-16-15-30(18-20(31)2)26-24-6-4-3-5-23(24)25(28-29-26)17-21-11-13-27-14-12-21/h3-14,20H,15-18H2,1-2H3/t20-/m0/s1

InChI Key

FCVJYRXOVHZILY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14783469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.24

Polar Surface Area

37.996

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C696-0437 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C696-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0437?
Check Price and Availability of C696-0437, 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 C696-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0437
  • 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 C696-0437 available by request