8011-7594 Screening compound: 2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

8011-7594 Screening compound: 2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one
8011-7594 Screening compound: 2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7594
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-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

8011-7594

Molecular Formula

C21H19N3O2S2 (C21 H19 N3 O2 S2)

Compound Name

2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

IUPAC name

2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

SMILES

CCCc1nc(SCC(N2c(cccc3)c3Sc3c2cccc3)=O)nc(O)c1

InChI

InChI=1S/C21H19N3O2S2/c1-2-7-14-12-19(25)23-21(22-14)27-13-20(26)24-15-8-3-5-10-17(15)28-18-11-6-4-9-16(18)24/h3-6,8-12H,2,7,13H2,1H3,(H,22,23,25)

InChI Key

ALLGUJNTAHLONN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-4.39

Polar Surface Area

48.390

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8011-7594 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 8011-7594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7594?
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What is the minimum amount of 8011-7594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7594
  • 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 8011-7594 available by request