C301-8951 Screening compound: 1-(diphenylmethyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine

C301-8951 Screening compound: 1-(diphenylmethyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine
C301-8951 Screening compound: 1-(diphenylmethyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8951
1-(diphenylmethyl)-4-{[1,2,3,4]tetrazolo[5,1-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

C301-8951

Molecular Formula

C25H23N7 (C25 H23 N7)

Compound Name

1-(diphenylmethyl)-4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazine

IUPAC name

1-(diphenylmethyl)-4-{[1234]tetrazolo[51-a]phthalazin-6-yl}piperazine

SMILES

C(CN(CC1)c2nn3nnnc3c3c2cccc3)N1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H23N7/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)30-15-17-31(18-16-30)25-22-14-8-7-13-21(22)24-26-28-29-32(24)27-25/h1-14,23H,15-18H2

InChI Key

LRWYQHRBMGUUED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.654

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.63

Polar Surface Area

52.886

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-8951 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-8951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8951?
Check Price and Availability of C301-8951, 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 C301-8951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8951
  • 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 C301-8951 available by request