8012-7876 Screening compound: 12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile

8012-7876 Screening compound: 12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile
8012-7876 Screening compound: 12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7876
12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile

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

8012-7876

Molecular Formula

C19H16N4O2 (C19 H16 N4 O2)

Compound Name

12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile

IUPAC name

12-imino-9-phenyl-1011-dioxatricyclo[5.3.2.0^{16}]dodecane-788-tricarbonitrile

SMILES

N=C(C(C1CCCC2)(C3(C#N)C#N)C#N)OC12OC3c1ccccc1

InChI

InChI=1S/C19H16N4O2/c20-10-17(11-21)15(13-6-2-1-3-7-13)24-19-9-5-4-8-14(19)18(17,12-22)16(23)25-19/h1-3,6-7,14-15,23H,4-5,8-9H2

InChI Key

WZLSMMJVGMRTON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-3.18

Polar Surface Area

84.014

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.40

8012-7876 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-7876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7876?
Check Price and Availability of 8012-7876, 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 8012-7876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7876
  • 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 8012-7876 available by request