5989-2317 Screening compound: 8-isopropyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

5989-2317 Screening compound: 8-isopropyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
5989-2317 Screening compound: 8-isopropyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-2317
8-isopropyl-2,3,3a,4,5,6-hexahydro-1H-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

5989-2317

Molecular Formula

C17H22N2 (C17 H22 N2)

Compound Name

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

IUPAC name

12-(propan-2-yl)-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene

SMILES

CC(C)c(cc1)cc2c1n1c3c2CCCC3NCC1

InChI

InChI=1S/C17H22N2/c1-11(2)12-6-7-16-14(10-12)13-4-3-5-15-17(13)19(16)9-8-18-15/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3

InChI Key

LOTKUUXABDKAIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00437682

Chemical and Physical Properties

Saltdata

CH3SO3H

Molecular Weight

254.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-4.26

Polar Surface Area

12.756

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

5989-2317 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5989-2317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-2317?
Check Price and Availability of 5989-2317, 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 5989-2317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-2317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-2317
  • 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 5989-2317 available by request