F235-0883 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile

F235-0883 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
F235-0883 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-0883
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]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

F235-0883

Molecular Formula

C19H17FN2OS (C19 H17 FN2 OS)

Compound Name

2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile

IUPAC name

2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5H6H7H8H9H-cyclohepta[b]pyridine-3-carbonitrile

SMILES

N#Cc1cc(CCCCC2)c2nc1SCC(c(cc1)ccc1F)=O

InChI

InChI=1S/C19H17FN2OS/c20-16-8-6-13(7-9-16)18(23)12-24-19-15(11-21)10-14-4-2-1-3-5-17(14)22-19/h6-10H,1-5,12H2

InChI Key

BQUPSZLERLMJEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.52

Polar Surface Area

40.770

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F235-0883 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F235-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-0883?
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What is the minimum amount of F235-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-0883
  • 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 F235-0883 available by request