6850-0195 Screening compound: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

6850-0195 Screening compound: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
6850-0195 Screening compound: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0195
2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

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

6850-0195

Molecular Formula

C29H25N5O2S2 (C29 H25 N5 O2 S2)

Compound Name

2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

IUPAC name

2-[(3-cyano-77-dimethyl-5-oxo-4-phenyl-5678-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-124-thiadiazol-3-yl]acetamide

SMILES

CC(C)(Cc(nc1SCC(Nc2nsc(-c3ccc(C)cc3)n2)=O)c2c(-c3ccccc3)c1C#N)CC2=O

InChI

InChI=1S/C29H25N5O2S2/c1-17-9-11-19(12-10-17)26-33-28(34-38-26)32-23(36)16-37-27-20(15-30)24(18-7-5-4-6-8-18)25-21(31-27)13-29(2,3)14-22(25)35/h4-12H,13-14,16H2,1-3H3,(H,32,34,36)

InChI Key

LWIJLVTXKQLXRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.468

Distribution Coefficient, logD

6.468

Water Solubility, LogSw

-5.88

Polar Surface Area

84.998

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

6850-0195 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6850-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0195?
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What is the minimum amount of 6850-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0195
  • 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 6850-0195 available by request