4850-0265 Screening compound: 1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

4850-0265 Screening compound: 1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
4850-0265 Screening compound: 1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0265
1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-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

4850-0265

Molecular Formula

C17H21N3OS (C17 H21 N3 OS)

Compound Name

1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

IUPAC name

1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

C=CCSc1nc(N2CCOCC2)c(CCCC2)c2c1C#N

InChI

InChI=1S/C17H21N3OS/c1-2-11-22-17-15(12-18)13-5-3-4-6-14(13)16(19-17)20-7-9-21-10-8-20/h2H,1,3-11H2

InChI Key

ROLWYSKTPFSMHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01561880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.23

Polar Surface Area

37.256

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

4850-0265 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4850-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0265?
Check Price and Availability of 4850-0265, 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 4850-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0265
  • 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 4850-0265 available by request