8008-4169 Screening compound: 3,3-dimethyl-1-(morpholin-4-yl)-3,4-dihydroisoquinoline

8008-4169 Screening compound: 3,3-dimethyl-1-(morpholin-4-yl)-3,4-dihydroisoquinoline
8008-4169 Screening compound: 3,3-dimethyl-1-(morpholin-4-yl)-3,4-dihydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4169
3,3-dimethyl-1-(morpholin-4-yl)-3,4-dihydroisoquinoline

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

8008-4169

Molecular Formula

C15H20N2O (C15 H20 N2 O)

Compound Name

3,3-dimethyl-1-(morpholin-4-yl)-3,4-dihydroisoquinoline

IUPAC name

33-dimethyl-1-(morpholin-4-yl)-34-dihydroisoquinoline

SMILES

CC(C)(Cc1c2cccc1)N=C2N1CCOCC1

InChI

InChI=1S/C15H20N2O/c1-15(2)11-12-5-3-4-6-13(12)14(16-15)17-7-9-18-10-8-17/h3-6H,7-11H2,1-2H3

InChI Key

DBJSVWGTIHHPPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.275

Distribution Coefficient, logD

-0.670

Water Solubility, LogSw

-2.70

Polar Surface Area

18.789

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

8008-4169 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4169?
Check Price and Availability of 8008-4169, 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 8008-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4169
  • 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 8008-4169 available by request