C201-2031 Screening compound: 1-(azepan-1-yl)-4-chlorophthalazine

C201-2031 Screening compound: 1-(azepan-1-yl)-4-chlorophthalazine
C201-2031 Screening compound: 1-(azepan-1-yl)-4-chlorophthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-2031
1-(azepan-1-yl)-4-chlorophthalazine

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

C201-2031

Molecular Formula

C14H16ClN3 (C14 H16 ClN3)

Compound Name

1-(azepan-1-yl)-4-chlorophthalazine

IUPAC name

1-(azepan-1-yl)-4-chlorophthalazine

SMILES

Clc(c1ccccc11)nnc1N1CCCCCC1

InChI

InChI=1S/C14H16ClN3/c15-13-11-7-3-4-8-12(11)14(17-16-13)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10H2

InChI Key

NZXAAXGBKABVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01848984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-4.20

Polar Surface Area

26.064

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C201-2031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C201-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-2031?
Check Price and Availability of C201-2031, 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 C201-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-2031
  • 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 C201-2031 available by request