8019-8339 Screening compound: 3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

8019-8339 Screening compound: 3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
8019-8339 Screening compound: 3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8339
3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

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

8019-8339

Molecular Formula

C11H11ClN4O (C11 H11 ClN4 O)

Compound Name

3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

IUPAC name

3-chloro-188-trimethyl-6-oxo-27-diazabicyclo[3.2.1]oct-3-ene-45-dicarbonitrile

SMILES

CC(C)(C(C)(NC1=O)NC(Cl)=C2C#N)C12C#N

InChI

InChI=1S/C11H11ClN4O/c1-9(2)10(3)15-7(12)6(4-13)11(9,5-14)8(17)16-10/h15H,1-3H3,(H,16,17)

InChI Key

PQHLRHKHTSFOFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12966012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-2.28

Polar Surface Area

69.941

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

8019-8339 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8019-8339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8339?
Check Price and Availability of 8019-8339, 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 8019-8339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8339
  • 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 8019-8339 available by request