0080-0012 Screening compound: 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene

0080-0012 Screening compound: 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene
0080-0012 Screening compound: 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0080-0012
3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene

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

0080-0012

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene

IUPAC name

341011-tetramethoxy-7812b13-tetrahydro-5H-6-azatetraphene

SMILES

COc(ccc(C1)c2CN(CC3)C1c(cc1OC)c3cc1OC)c2OC

InChI

InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1

InChI Key

AEQDJSLRWYMAQI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00214191

Chemical and Physical Properties

Saltdata

H2SO4

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.802

Distribution Coefficient, logD

0.447

Water Solubility, LogSw

-3.08

Polar Surface Area

33.587

Acid Dissociation Constant (pKa)

23.17

Base Dissociation Constant (pKb)

9.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

0080-0012 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

CNS Annotated Library (688 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 0080-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0080-0012?
Check Price and Availability of 0080-0012, 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 0080-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0080-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0080-0012
  • 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 0080-0012 available by request