3630-0653 Screening compound: 1-(piperidin-1-yl)-3-(propan-2-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3630-0653 Screening compound: 1-(piperidin-1-yl)-3-(propan-2-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3630-0653 Screening compound: 1-(piperidin-1-yl)-3-(propan-2-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0653
1-(piperidin-1-yl)-3-(propan-2-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

3630-0653

Molecular Formula

C18H25N3S (C18 H25 N3 S)

Compound Name

1-(piperidin-1-yl)-3-(propan-2-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

IUPAC name

1-(piperidin-1-yl)-3-(propan-2-ylsulfanyl)-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

CC(C)Sc1nc(N2CCCCC2)c(CCCC2)c2c1C#N

InChI

InChI=1S/C18H25N3S/c1-13(2)22-18-16(12-19)14-8-4-5-9-15(14)17(20-18)21-10-6-3-7-11-21/h13H,3-11H2,1-2H3

InChI Key

HKMAAAIBSYRXDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-5.39

Polar Surface Area

29.348

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 3630-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0653?
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What is the minimum amount of 3630-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0653
  • 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 3630-0653 available by request