8005-4529 Screening compound: (11Z)-11-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-11H-indeno[1,2-b]quinoxaline

8005-4529 Screening compound: (11Z)-11-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-11H-indeno[1,2-b]quinoxaline
8005-4529 Screening compound: (11Z)-11-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-11H-indeno[1,2-b]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4529
(11Z)-11-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-11H-indeno[1,2-b]quinoxaline

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

8005-4529

Molecular Formula

C25H20N2O2 (C25 H20 N2 O2)

Compound Name

(11Z)-11-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-11H-indeno[1,2-b]quinoxaline

IUPAC name

(11Z)-11-[(34-dimethoxyphenyl)methylidene]-2-methyl-11H-indeno[12-b]quinoxaline

SMILES

Cc(cc1)cc2c1-c1nc3ccccc3nc1/C2=C\c(cc1)cc(OC)c1OC

InChI

InChI=1S/C25H20N2O2/c1-15-8-10-17-18(12-15)19(13-16-9-11-22(28-2)23(14-16)29-3)25-24(17)26-20-6-4-5-7-21(20)27-25/h4-14H,1-3H3

InChI Key

ZLXRGTFCSLIZRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00346766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.65

Polar Surface Area

33.898

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8005-4529 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-4529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4529?
Check Price and Availability of 8005-4529, 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 8005-4529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4529
  • 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 8005-4529 available by request