D090-0019 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl cyclohexyl ether

D090-0019 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl cyclohexyl ether
D090-0019 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl cyclohexyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0019
2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl cyclohexyl 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

D090-0019

Molecular Formula

C20H26N2O (C20 H26 N2 O)

Compound Name

2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl cyclohexyl ether

IUPAC name

12-(cyclohexyloxy)-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)101214-tetraene

SMILES

C(CC1)CCC1Oc(cc1)cc2c1n1c3c2CCCC3NCC1

InChI

InChI=1S/C20H26N2O/c1-2-5-14(6-3-1)23-15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2/t18-/m0/s1

InChI Key

UNOCVRGWLFGNQA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00301370

Chemical and Physical Properties

Saltdata

CH3SO3H

Molecular Weight

310.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-4.74

Polar Surface Area

19.210

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

D090-0019 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
Targets:
  • GPCR
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D090-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0019?
Check Price and Availability of D090-0019, 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 D090-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0019
  • 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 D090-0019 available by request