5921-0170 Screening compound: 1-ETHYL-3-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE-4-CARBONITRILE

5921-0170 Screening compound: 1-ETHYL-3-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE-4-CARBONITRILE
5921-0170 Screening compound: 1-ETHYL-3-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE-4-CARBONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0170
1-ETHYL-3-(MORPHOLIN-4-YL)-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

5921-0170

Molecular Formula

C16H21N3O (C16 H21 N3 O)

Compound Name

1-ETHYL-3-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE-4-CARBONITRILE

IUPAC name

n/a

SMILES

CCc(nc1N2CCOCC2)c(CCCC2)c2c1C#N

InChI

InChI=1S/C16H21N3O/c1-2-15-13-6-4-3-5-12(13)14(11-17)16(18-15)19-7-9-20-10-8-19/h2-10H2,1H3

InChI Key

IPMSLSGLVYALQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01957075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.40

Polar Surface Area

38.391

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

5921-0170 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5921-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0170?
Check Price and Availability of 5921-0170, 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 5921-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0170
  • 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 5921-0170 available by request