3474-0006 Screening compound: 3-benzyl-8-(1-cyclopentenyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

3474-0006 Screening compound: 3-benzyl-8-(1-cyclopentenyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
3474-0006 Screening compound: 3-benzyl-8-(1-cyclopentenyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0006
3-benzyl-8-(1-cyclopentenyl)-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

3474-0006

Molecular Formula

C26H28N2 (C26 H28 N2)

Compound Name

3-benzyl-8-(1-cyclopentenyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

IUPAC name

4-benzyl-12-(cyclopent-1-en-1-yl)-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene

SMILES

C(c1ccccc1)N1C(CCC2)c3c2c(cc(cc2)C4=CCCC4)c2n3CC1

InChI

InChI=1S/C26H28N2/c1-2-7-19(8-3-1)18-27-15-16-28-24-14-13-21(20-9-4-5-10-20)17-23(24)22-11-6-12-25(27)26(22)28/h1-3,7-9,13-14,17,25H,4-6,10-12,15-16,18H2/t25-/m0/s1

InChI Key

VWWJKZASFNVJTI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00296421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.540

Distribution Coefficient, logD

6.301

Water Solubility, LogSw

-6.48

Polar Surface Area

3.870

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

3474-0006 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3474-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0006?
Check Price and Availability of 3474-0006, 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 3474-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0006
  • 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 3474-0006 available by request