C201-2004 Screening compound: 1-chloro-4-(thiomorpholin-4-yl)phthalazine

C201-2004 Screening compound: 1-chloro-4-(thiomorpholin-4-yl)phthalazine
C201-2004 Screening compound: 1-chloro-4-(thiomorpholin-4-yl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-2004
1-chloro-4-(thiomorpholin-4-yl)phthalazine

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

C201-2004

Molecular Formula

C12H12ClN3S (C12 H12 ClN3 S)

Compound Name

1-chloro-4-(thiomorpholin-4-yl)phthalazine

IUPAC name

1-chloro-4-(thiomorpholin-4-yl)phthalazine

SMILES

Clc(c1ccccc11)nnc1N1CCSCC1

InChI

InChI=1S/C12H12ClN3S/c13-11-9-3-1-2-4-10(9)12(15-14-11)16-5-7-17-8-6-16/h1-4H,5-8H2

InChI Key

CMOGNSKGYWANDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17936142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-3.21

Polar Surface Area

25.733

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C201-2004 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C201-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-2004?
Check Price and Availability of C201-2004, 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 C201-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-2004
  • 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 C201-2004 available by request