8003-4610 Screening compound: 2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

8003-4610 Screening compound: 2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
8003-4610 Screening compound: 2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4610
2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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

8003-4610

Molecular Formula

C23H18F3N3OS2 (C23 H18 F3 N3 OS2)

Compound Name

2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[3-cyano-4-(thiophen-2-yl)-5678-tetrahydroquinolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

N#Cc1c(-c2cccs2)c(CCCC2)c2nc1SCC(Nc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C23H18F3N3OS2/c24-23(25,26)14-5-3-6-15(11-14)28-20(30)13-32-22-17(12-27)21(19-9-4-10-31-19)16-7-1-2-8-18(16)29-22/h3-6,9-11H,1-2,7-8,13H2,(H,28,30)

InChI Key

PFYUFTSZDBXPCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.473

Distribution Coefficient, logD

6.473

Water Solubility, LogSw

-6.18

Polar Surface Area

51.088

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8003-4610 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8003-4610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4610?
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What is the minimum amount of 8003-4610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4610
  • 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 8003-4610 available by request