D090-0020 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl (4-methoxyphenyl) ether

D090-0020 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl (4-methoxyphenyl) ether
D090-0020 Screening compound: 2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl (4-methoxyphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0020
2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-8-yl (4-methoxyphenyl) 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

D090-0020

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1Oc(cc1)cc2c1n1c3c2CCCC3NCC1

InChI

InChI=1S/C21H22N2O2/c1-24-14-5-7-15(8-6-14)25-16-9-10-20-18(13-16)17-3-2-4-19-21(17)23(20)12-11-22-19/h5-10,13,19,22H,2-4,11-12H2,1H3/t19-/m0/s1

InChI Key

LTMIZKVXZVNXNW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00293681

Chemical and Physical Properties

Saltdata

CH3SO3H

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-4.43

Polar Surface Area

27.047

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D090-0020 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D090-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0020?
Check Price and Availability of D090-0020, 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 D090-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0020
  • 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 D090-0020 available by request