F235-1439 Screening compound: 2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile

F235-1439 Screening compound: 2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
F235-1439 Screening compound: 2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1439
2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-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

F235-1439

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

2-{[2-(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5678-tetrahydroquinoline-3-carbonitrile

SMILES

COc1cc(CCN(C2)C(CSc3nc(CCCC4)c4cc3C#N)=O)c2cc1OC

InChI

InChI=1S/C23H25N3O3S/c1-28-20-10-15-7-8-26(13-18(15)11-21(20)29-2)22(27)14-30-23-17(12-24)9-16-5-3-4-6-19(16)25-23/h9-11H,3-8,13-14H2,1-2H3

InChI Key

LTTUNKBENLCWDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03234620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-3.79

Polar Surface Area

58.507

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F235-1439 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F235-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1439?
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What is the minimum amount of F235-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1439
  • 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 F235-1439 available by request