3653-0090 Screening compound: 4,6-dimethyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile

3653-0090 Screening compound: 4,6-dimethyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
3653-0090 Screening compound: 4,6-dimethyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3653-0090
4,6-dimethyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile

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

3653-0090

Molecular Formula

C22H17N3OS2 (C22 H17 N3 OS2)

Compound Name

4,6-dimethyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile

IUPAC name

46-dimethyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCC(N2c(cccc3)c3Sc3c2cccc3)=O)c1C#N

InChI

InChI=1S/C22H17N3OS2/c1-14-11-15(2)24-22(16(14)12-23)27-13-21(26)25-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)25/h3-11H,13H2,1-2H3

InChI Key

CWUUHDHIUHECOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

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

4.726

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-4.64

Polar Surface Area

38.952

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3653-0090 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 3653-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3653-0090?
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What is the minimum amount of 3653-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3653-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3653-0090
  • 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 3653-0090 available by request