8003-4510 Screening compound: 2-[(4-fluorobenzyl)sulfanyl]-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

8003-4510 Screening compound: 2-[(4-fluorobenzyl)sulfanyl]-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
8003-4510 Screening compound: 2-[(4-fluorobenzyl)sulfanyl]-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4510
2-[(4-fluorobenzyl)sulfanyl]-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

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

8003-4510

Molecular Formula

C23H19FN2S (C23 H19 FN2 S)

Compound Name

2-[(4-fluorobenzyl)sulfanyl]-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-5678-tetrahydroquinoline-3-carbonitrile

SMILES

N#Cc(c(SCc(cc1)ccc1F)nc1c2CCCC1)c2-c1ccccc1

InChI

InChI=1S/C23H19FN2S/c24-18-12-10-16(11-13-18)15-27-23-20(14-25)22(17-6-2-1-3-7-17)19-8-4-5-9-21(19)26-23/h1-3,6-7,10-13H,4-5,8-9,15H2

InChI Key

GDPABNNAKMWHDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.998

Water Solubility, LogSw

-6.12

Polar Surface Area

26.920

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

8003-4510 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8003-4510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4510?
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What is the minimum amount of 8003-4510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4510
  • 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 8003-4510 available by request