4480-0796 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one

4480-0796 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one
4480-0796 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4480-0796
1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one

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

4480-0796

Molecular Formula

C19H20ClN3OS (C19 H20 ClN3 OS)

Compound Name

1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one

IUPAC name

1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one

SMILES

CN1CCN(CC(N2c(cc(cc3)Cl)c3Sc3c2cccc3)=O)CC1

InChI

InChI=1S/C19H20ClN3OS/c1-21-8-10-22(11-9-21)13-19(24)23-15-4-2-3-5-17(15)25-18-7-6-14(20)12-16(18)23/h2-7,12H,8-11,13H2,1H3

InChI Key

JUWUJGGGFBKTQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989241

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

373.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-3.42

Polar Surface Area

20.823

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4480-0796 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4480-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4480-0796?
Check Price and Availability of 4480-0796, 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 4480-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4480-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4480-0796
  • 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 4480-0796 available by request