3391-6932 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

3391-6932 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one
3391-6932 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6932
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-[2-(trifluoromethyl)-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

3391-6932

Molecular Formula

C21H16F3N3OS2 (C21 H16 F3 N3 OS2)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)sulfanyl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

SMILES

Cc1nc(SCC(N2c(cc(C(F)(F)F)cc3)c3Sc3c2cccc3)=O)nc(C)c1

InChI

InChI=1S/C21H16F3N3OS2/c1-12-9-13(2)26-20(25-12)29-11-19(28)27-15-5-3-4-6-17(15)30-18-8-7-14(10-16(18)27)21(22,23)24/h3-10H,11H2,1-2H3

InChI Key

GGIPQKXLGISVCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.06

Polar Surface Area

30.248

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3391-6932 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3391-6932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6932?
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What is the minimum amount of 3391-6932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6932
  • 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 3391-6932 available by request