D090-0011 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl(phenyl)methanol

D090-0011 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl(phenyl)methanol
D090-0011 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl(phenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0011
2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl(phenyl)methanol

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

D090-0011

Molecular Formula

C21H22N2O (C21 H22 N2 O)

Compound Name

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

IUPAC name

{14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)101214-tetraen-12-yl}(phenyl)methanol

SMILES

OC(c1ccccc1)c(cc1)cc2c1n1c3c2CCCC3NCC1

InChI

InChI=1S/C21H22N2O/c24-21(14-5-2-1-3-6-14)15-9-10-19-17(13-15)16-7-4-8-18-20(16)23(19)12-11-22-18/h1-3,5-6,9-10,13,18,21-22,24H,4,7-8,11-12H2

InChI Key

AHBSFBQHTBVUMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02059212

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-4.14

Polar Surface Area

28.169

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D090-0011 in Drug Discovery

Included in Screening Libraries

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

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D090-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0011?
Check Price and Availability of D090-0011, 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 D090-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0011
  • 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 D090-0011 available by request