3606-0065 Screening compound: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethyl cyanide

3606-0065 Screening compound: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethyl cyanide
3606-0065 Screening compound: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3606-0065
2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethyl cyanide

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

3606-0065

Molecular Formula

C18H21N3 (C18 H21 N3)

Compound Name

2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethyl cyanide

IUPAC name

3-{12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraen-4-yl}propanenitrile

SMILES

Cc(cc1)cc2c1n1c3c2CCCC3N(CCC#N)CC1

InChI

InChI=1S/C18H21N3/c1-13-6-7-16-15(12-13)14-4-2-5-17-18(14)21(16)11-10-20(17)9-3-8-19/h6-7,12,17H,2-5,9-11H2,1H3/t17-/m0/s1

InChI Key

HWJBOELNKXRKJA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00417196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.38

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

3.810

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.06

Polar Surface Area

21.325

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3606-0065 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3606-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3606-0065?
Check Price and Availability of 3606-0065, 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 3606-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3606-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3606-0065
  • 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 3606-0065 available by request