8009-6069 Screening compound: 2-{6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl}ethan-1-ol

8009-6069 Screening compound: 2-{6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl}ethan-1-ol
8009-6069 Screening compound: 2-{6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6069
2-{6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl}ethan-1-ol

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

8009-6069

Molecular Formula

C11H17N3O6 (C11 H17 N3 O6)

Compound Name

2-{6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl}ethan-1-ol

IUPAC name

2-{6-methoxy-15-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl}ethan-1-ol

SMILES

COC(C(C1)(CN(CCO)C2)[N+]([O-])=O)=CCC12[N+]([O-])=O

InChI

InChI=1S/C11H17N3O6/c1-20-9-2-3-10(13(16)17)6-11(9,14(18)19)8-12(7-10)4-5-15/h2,15H,3-8H2,1H3

InChI Key

VRXYKYLSCIYEGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01822136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.396

Distribution Coefficient, logD

0.396

Water Solubility, LogSw

-0.75

Polar Surface Area

93.444

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

81.80

8009-6069 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-6069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6069?
Check Price and Availability of 8009-6069, 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 8009-6069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6069
  • 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 8009-6069 available by request