3683-0520 Screening compound: 1-(morpholin-4-yl)-3-(pentylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3683-0520 Screening compound: 1-(morpholin-4-yl)-3-(pentylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3683-0520 Screening compound: 1-(morpholin-4-yl)-3-(pentylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0520
1-(morpholin-4-yl)-3-(pentylsulfanyl)-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

3683-0520

Molecular Formula

C19H27N3OS (C19 H27 N3 OS)

Compound Name

1-(morpholin-4-yl)-3-(pentylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

IUPAC name

1-(morpholin-4-yl)-3-(pentylsulfanyl)-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

CCCCCSc1nc(N2CCOCC2)c(CCCC2)c2c1C#N

InChI

InChI=1S/C19H27N3OS/c1-2-3-6-13-24-19-17(14-20)15-7-4-5-8-16(15)18(21-19)22-9-11-23-12-10-22/h2-13H2,1H3

InChI Key

MRFNIPXIQPBOKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.594

Water Solubility, LogSw

-5.30

Polar Surface Area

37.256

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

References: we are preparing a list of scientific research reports with 3683-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0520?
Check Price and Availability of 3683-0520, 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 3683-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0520
  • 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 3683-0520 available by request