6085-0135 Screening compound: 1-(morpholin-4-yl)-3-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

6085-0135 Screening compound: 1-(morpholin-4-yl)-3-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
6085-0135 Screening compound: 1-(morpholin-4-yl)-3-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6085-0135
1-(morpholin-4-yl)-3-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-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

6085-0135

Molecular Formula

C22H25N3OS (C22 H25 N3 OS)

Compound Name

1-(morpholin-4-yl)-3-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

IUPAC name

1-(morpholin-4-yl)-3-[(2-phenylethyl)sulfanyl]-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

N#Cc1c(CCCC2)c2c(N2CCOCC2)nc1SCCc1ccccc1

InChI

InChI=1S/C22H25N3OS/c23-16-20-18-8-4-5-9-19(18)21(25-11-13-26-14-12-25)24-22(20)27-15-10-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2

InChI Key

MFWSYBLTILBZAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.60

Polar Surface Area

36.985

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

6085-0135 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6085-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6085-0135?
Check Price and Availability of 6085-0135, 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 6085-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6085-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6085-0135
  • 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 6085-0135 available by request