5989-2470 Screening compound: 5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazol-8-yl isobutyl ether

5989-2470 Screening compound: 5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazol-8-yl isobutyl ether
5989-2470 Screening compound: 5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazol-8-yl isobutyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-2470
5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazol-8-yl isobutyl ether

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

5989-2470

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazol-8-yl isobutyl ether

IUPAC name

12-(2-methylpropoxy)-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-249(16)10(15)1113-hexaene

SMILES

CC(C)COc(cc1)cc2c1n1c3c2CCCc3ncc1

InChI

InChI=1S/C18H20N2O/c1-12(2)11-21-13-6-7-17-15(10-13)14-4-3-5-16-18(14)20(17)9-8-19-16/h6-10,12H,3-5,11H2,1-2H3

InChI Key

AUYOJIVPSYYSKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00417204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.16

Polar Surface Area

15.467

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

5989-2470 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5989-2470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-2470?
Check Price and Availability of 5989-2470, 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 5989-2470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-2470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-2470
  • 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 5989-2470 available by request