F235-1509 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile

F235-1509 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
F235-1509 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1509
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-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

F235-1509

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

2-{[2-(34-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5678-tetrahydroquinoline-3-carbonitrile

SMILES

COc(ccc(C(CSc1nc(CCCC2)c2cc1C#N)=O)c1)c1OC

InChI

InChI=1S/C20H20N2O3S/c1-24-18-8-7-14(10-19(18)25-2)17(23)12-26-20-15(11-21)9-13-5-3-4-6-16(13)22-20/h7-10H,3-6,12H2,1-2H3

InChI Key

WEQQDAFXPVNLAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03730307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.02

Polar Surface Area

55.700

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F235-1509 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F235-1509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1509?
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What is the minimum amount of F235-1509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1509
  • 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 F235-1509 available by request