0559-0412 Screening compound: 1,8-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene

0559-0412 Screening compound: 1,8-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene
0559-0412 Screening compound: 1,8-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0559-0412
1,8-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene

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

0559-0412

Molecular Formula

C10H12N2 (C10 H12 N2)

Compound Name

1,8-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene

IUPAC name

18-diazatricyclo[6.2.2.0^{27}]dodeca-2(7)35-triene

SMILES

C(C1)N2c(cccc3)c3N1CC2

InChI

InChI=1S/C10H12N2/c1-2-4-10-9(3-1)11-5-7-12(10)8-6-11/h1-4H,5-8H2

InChI Key

OGEXWIXITOCNRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

160.22

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-1.85

Polar Surface Area

5.848

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0559-0412 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0559-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0559-0412?
Check Price and Availability of 0559-0412, 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 0559-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0559-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0559-0412
  • 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 0559-0412 available by request