5645-0144 Screening compound: 1-(9H-CARBAZOL-9-YL)-2-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANONE

5645-0144 Screening compound: 1-(9H-CARBAZOL-9-YL)-2-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANONE
5645-0144 Screening compound: 1-(9H-CARBAZOL-9-YL)-2-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0144
1-(9H-CARBAZOL-9-YL)-2-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANONE

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

5645-0144

Molecular Formula

C23H20N2O (C23 H20 N2 O)

Compound Name

1-(9H-CARBAZOL-9-YL)-2-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANONE

IUPAC name

1-(9H-carbazol-9-yl)-2-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(CN(CC1)Cc2c1cccc2)n1c(cccc2)c2c2c1cccc2

InChI

InChI=1S/C23H20N2O/c26-23(16-24-14-13-17-7-1-2-8-18(17)15-24)25-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25/h1-12H,13-16H2

InChI Key

XLSMWDIZRJAEJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.502

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.37

Polar Surface Area

18.020

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

5645-0144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5645-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0144?
Check Price and Availability of 5645-0144, 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 5645-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0144
  • 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 5645-0144 available by request