C301-8848 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

C301-8848 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine
C301-8848 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8848
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

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

C301-8848

Molecular Formula

C21H23ClN8 (C21 H23 ClN8)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-amine

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-[1234]tetrazolo[51-a]phthalazin-6-amine

SMILES

Clc1cc(N2CCN(CCCNc3nn4nnnc4c4c3cccc4)CC2)ccc1

InChI

InChI=1S/C21H23ClN8/c22-16-5-3-6-17(15-16)29-13-11-28(12-14-29)10-4-9-23-20-18-7-1-2-8-19(18)21-24-26-27-30(21)25-20/h1-3,5-8,15H,4,9-14H2,(H,23,25)

InChI Key

VWOIRSCEWLCZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-3.61

Polar Surface Area

64.898

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-8848 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-8848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8848?
Check Price and Availability of C301-8848, 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 C301-8848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8848
  • 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 C301-8848 available by request