D457-0641 Screening compound: 1-(diphenylmethyl)-4-{[1,2,4]triazolo[3,4-a]phthalazin-6-yl}piperazine

D457-0641 Screening compound: 1-(diphenylmethyl)-4-{[1,2,4]triazolo[3,4-a]phthalazin-6-yl}piperazine
D457-0641 Screening compound: 1-(diphenylmethyl)-4-{[1,2,4]triazolo[3,4-a]phthalazin-6-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0641
1-(diphenylmethyl)-4-{[1,2,4]triazolo[3,4-a]phthalazin-6-yl}piperazine

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

D457-0641

Molecular Formula

C26H24N6 (C26 H24 N6)

Compound Name

1-(diphenylmethyl)-4-{[1,2,4]triazolo[3,4-a]phthalazin-6-yl}piperazine

IUPAC name

1-(diphenylmethyl)-4-{[124]triazolo[34-a]phthalazin-6-yl}piperazine

SMILES

C(CN(CC1)c(c2c3cccc2)nn2c3nnc2)N1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C26H24N6/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)30-15-17-31(18-16-30)26-23-14-8-7-13-22(23)25-28-27-19-32(25)29-26/h1-14,19,24H,15-18H2

InChI Key

CJHUNACXJRTJBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01849037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-4.60

Polar Surface Area

39.541

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D457-0641 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D457-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0641?
Check Price and Availability of D457-0641, 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 D457-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0641
  • 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 D457-0641 available by request