8018-2400 Screening compound: 2-amino-4,4-diethoxy-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

8018-2400 Screening compound: 2-amino-4,4-diethoxy-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
8018-2400 Screening compound: 2-amino-4,4-diethoxy-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2400
2-amino-4,4-diethoxy-6-(3,4,5-trimethoxyphenyl)-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

8018-2400

Molecular Formula

C20H24N4O5 (C20 H24 N4 O5)

Compound Name

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

IUPAC name

2-amino-44-diethoxy-6-(345-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-15-dicarbonitrile

SMILES

CCOC(C(C1c(cc2OC)cc(OC)c2OC)(C11C#N)C#N)(N=C1N)OCC

InChI

InChI=1S/C20H24N4O5/c1-6-28-20(29-7-2)19(11-22)16(18(19,10-21)17(23)24-20)12-8-13(25-3)15(27-5)14(9-12)26-4/h8-9,16H,6-7H2,1-5H3,(H2,23,24)

InChI Key

QDYKSIOHXQHAOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04097192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

-0.539

Water Solubility, LogSw

-2.32

Polar Surface Area

101.316

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.00

8018-2400 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-2400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2400?
Check Price and Availability of 8018-2400, 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 8018-2400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2400
  • 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 8018-2400 available by request