6234-0218 Screening compound: 2-amino-4,4-dimethoxy-6-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

6234-0218 Screening compound: 2-amino-4,4-dimethoxy-6-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
6234-0218 Screening compound: 2-amino-4,4-dimethoxy-6-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6234-0218
2-amino-4,4-dimethoxy-6-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-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

6234-0218

Molecular Formula

C16H16N4O3 (C16 H16 N4 O3)

Compound Name

2-amino-4,4-dimethoxy-6-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

IUPAC name

2-amino-44-dimethoxy-6-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-15-dicarbonitrile

SMILES

COC(C(C1c2cccc(OC)c2)(C11C#N)C#N)(N=C1N)OC

InChI

InChI=1S/C16H16N4O3/c1-21-11-6-4-5-10(7-11)12-14(8-17)13(19)20-16(22-2,23-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)

InChI Key

ZUEQFYOKRIGBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

-1.664

Water Solubility, LogSw

-1.73

Polar Surface Area

86.723

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

10.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.80

6234-0218 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6234-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6234-0218?
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What is the minimum amount of 6234-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6234-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6234-0218
  • 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 6234-0218 available by request