8018-2405 Screening compound: 6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

8018-2405 Screening compound: 6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
8018-2405 Screening compound: 6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2405
6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-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

8018-2405

Molecular Formula

C15H11N3O4 (C15 H11 N3 O4)

Compound Name

6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

IUPAC name

6-(34-dimethoxyphenyl)-24-dioxo-3-azabicyclo[3.1.0]hexane-15-dicarbonitrile

SMILES

COc(ccc(C(C1(C(NC2=O)=O)C#N)C12C#N)c1)c1OC

InChI

InChI=1S/C15H11N3O4/c1-21-9-4-3-8(5-10(9)22-2)11-14(6-16)12(19)18-13(20)15(11,14)7-17/h3-5,11H,1-2H3,(H,18,19,20)

InChI Key

ORGUJBMWJOLBHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.684

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-2.00

Polar Surface Area

88.629

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8018-2405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2405?
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What is the minimum amount of 8018-2405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2405
  • 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 8018-2405 available by request