3391-6836 Screening compound: (2E)-3-(2,4-dimethoxyphenyl)-1-(10H-phenothiazin-10-yl)prop-2-en-1-one

3391-6836 Screening compound: (2E)-3-(2,4-dimethoxyphenyl)-1-(10H-phenothiazin-10-yl)prop-2-en-1-one
3391-6836 Screening compound: (2E)-3-(2,4-dimethoxyphenyl)-1-(10H-phenothiazin-10-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6836
(2E)-3-(2,4-dimethoxyphenyl)-1-(10H-phenothiazin-10-yl)prop-2-en-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

3391-6836

Molecular Formula

C23H19NO3S (C23 H19 NO3 S)

Compound Name

(2E)-3-(2,4-dimethoxyphenyl)-1-(10H-phenothiazin-10-yl)prop-2-en-1-one

IUPAC name

(2E)-3-(24-dimethoxyphenyl)-1-(10H-phenothiazin-10-yl)prop-2-en-1-one

SMILES

COc1cc(OC)c(/C=C/C(N2c(cccc3)c3Sc3c2cccc3)=O)cc1

InChI

InChI=1S/C23H19NO3S/c1-26-17-13-11-16(20(15-17)27-2)12-14-23(25)24-18-7-3-5-9-21(18)28-22-10-6-4-8-19(22)24/h3-15H,1-2H3

InChI Key

USGDXEJDGVWTHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01857308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.04

Polar Surface Area

28.517

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3391-6836 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3391-6836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6836?
Check Price and Availability of 3391-6836, 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 3391-6836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6836
  • 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 3391-6836 available by request