0479-0676 Screening compound: 4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine

0479-0676 Screening compound: 4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
0479-0676 Screening compound: 4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0479-0676
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-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

0479-0676

Molecular Formula

C20H21ClN4 (C20 H21 ClN4)

Compound Name

4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine

IUPAC name

4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine

SMILES

Clc(cc1)ccc1-c(c1ccccc11)nnc1NCCN1CCCC1

InChI

InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(24-23-19)22-11-14-25-12-3-4-13-25/h1-2,5-10H,3-4,11-14H2,(H,22,24)

InChI Key

CGRKUVBDRMBTHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00553010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

1.595

Water Solubility, LogSw

-4.58

Polar Surface Area

37.273

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0479-0676 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0479-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0479-0676?
Check Price and Availability of 0479-0676, 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 0479-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0479-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0479-0676
  • 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 0479-0676 available by request