Y500-0297 Screening compound: 1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile

Y500-0297 Screening compound: 1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
Y500-0297 Screening compound: 1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-0297
1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile

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

Y500-0297

Molecular Formula

C25H21FN2O2S (C25 H21 FN2 O2 S)

Compound Name

1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile

IUPAC name

1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

COc(cc1)ccc1C(CSc1nc(-c(cc2)ccc2F)c(CCCC2)c2c1C#N)=O

InChI

InChI=1S/C25H21FN2O2S/c1-30-19-12-8-16(9-13-19)23(29)15-31-25-22(14-27)20-4-2-3-5-21(20)24(28-25)17-6-10-18(26)11-7-17/h6-13H,2-5,15H2,1H3

InChI Key

FSDVDERWMJINQC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

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

5.805

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.52

Polar Surface Area

46.981

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y500-0297 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 Y500-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-0297?
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What is the minimum amount of Y500-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-0297
  • 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 Y500-0297 available by request