8006-3062 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl cyanide

8006-3062 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl cyanide
8006-3062 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3062
2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl cyanide

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

8006-3062

Molecular Formula

C16H13FN2S (C16 H13 FN2 S)

Compound Name

2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl cyanide

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5H6H7H-cyclopenta[b]pyridine-3-carbonitrile

SMILES

N#Cc1cc(CCC2)c2nc1SCc(cccc1)c1F

InChI

InChI=1S/C16H13FN2S/c17-14-6-2-1-4-12(14)10-20-16-13(9-18)8-11-5-3-7-15(11)19-16/h1-2,4,6,8H,3,5,7,10H2

InChI Key

BINBNWBWZODGCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.56

Polar Surface Area

27.558

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8006-3062 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-3062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3062?
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What is the minimum amount of 8006-3062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3062
  • 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 8006-3062 available by request