5989-2401 Screening compound: 8-methyl-3a,4,5,6-tetrahydro-3H-pyrazino[3,2,1-jk]carbazole

5989-2401 Screening compound: 8-methyl-3a,4,5,6-tetrahydro-3H-pyrazino[3,2,1-jk]carbazole
5989-2401 Screening compound: 8-methyl-3a,4,5,6-tetrahydro-3H-pyrazino[3,2,1-jk]carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-2401
8-methyl-3a,4,5,6-tetrahydro-3H-pyrazino[3,2,1-jk]carbazole

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

5989-2401

Molecular Formula

C15H16N2 (C15 H16 N2)

Compound Name

8-methyl-3a,4,5,6-tetrahydro-3H-pyrazino[3,2,1-jk]carbazole

IUPAC name

12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-29(16)10(15)1113-pentaene

SMILES

Cc(cc1)cc2c1n1c3c2CCCC3NC=C1

InChI

InChI=1S/C15H16N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-9,13,16H,2-4H2,1H3/t13-/m0/s1

InChI Key

SLCNLOYYJWQPGC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00769232

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

224.31

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.02

Polar Surface Area

11.507

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5989-2401 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5989-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-2401?
Check Price and Availability of 5989-2401, 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 5989-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-2401
  • 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 5989-2401 available by request