4120-0471 Screening compound: 4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]butanoic acid

4120-0471 Screening compound: 4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]butanoic acid
4120-0471 Screening compound: 4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4120-0471
4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]butanoic acid

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

4120-0471

Molecular Formula

C26H28F3N3O5S (C26 H28 F3 N3 O5 S)

Compound Name

4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]butanoic acid

IUPAC name

4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]butanoic acid

SMILES

OC(CCC(OCCN1CCN(CCC(N2c(cc(C(F)(F)F)cc3)c3Sc3c2cccc3)=O)CC1)=O)=O

InChI

InChI=1S/C26H28F3N3O5S/c27-26(28,29)18-5-6-22-20(17-18)32(19-3-1-2-4-21(19)38-22)23(33)9-10-30-11-13-31(14-12-30)15-16-37-25(36)8-7-24(34)35/h1-6,17H,7-16H2,(H,34,35)

InChI Key

RTXVCIPJNLSCLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

-0.397

Water Solubility, LogSw

-3.54

Polar Surface Area

69.952

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

4120-0471 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4120-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4120-0471?
Check Price and Availability of 4120-0471, 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 4120-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4120-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4120-0471
  • 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 4120-0471 available by request