F235-0846 Screening compound: ethyl 2-{[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}benzoate

F235-0846 Screening compound: ethyl 2-{[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}benzoate
F235-0846 Screening compound: ethyl 2-{[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-0846
ethyl 2-{[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}benzoate

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

F235-0846

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

ethyl 2-{[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}benzoate

IUPAC name

ethyl 2-{[(3-cyano-5678-tetrahydroquinolin-2-yl)sulfanyl]methyl}benzoate

SMILES

CCOC(c1c(CSc2nc(CCCC3)c3cc2C#N)cccc1)=O

InChI

InChI=1S/C20H20N2O2S/c1-2-24-20(23)17-9-5-3-8-15(17)13-25-19-16(12-21)11-14-7-4-6-10-18(14)22-19/h3,5,8-9,11H,2,4,6-7,10,13H2,1H3

InChI Key

KZCVJQIUWUEXCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01133832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.81

Polar Surface Area

47.945

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F235-0846 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F235-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-0846?
Check Price and Availability of F235-0846, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F235-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-0846
  • 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 F235-0846 available by request