8013-0973 Screening compound: 2-amino-6-(2-chlorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

8013-0973 Screening compound: 2-amino-6-(2-chlorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
8013-0973 Screening compound: 2-amino-6-(2-chlorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0973
2-amino-6-(2-chlorophenyl)-4,4-dimethoxy-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

8013-0973

Molecular Formula

C15H13ClN4O2 (C15 H13 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C1c(cccc2)c2Cl)(C11C#N)C#N)(N=C1N)OC

InChI

InChI=1S/C15H13ClN4O2/c1-21-15(22-2)14(8-18)11(9-5-3-4-6-10(9)16)13(14,7-17)12(19)20-15/h3-6,11H,1-2H3,(H2,19,20)

InChI Key

QMTMZPSANILMRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

-0.553

Water Solubility, LogSw

-2.68

Polar Surface Area

79.179

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

8013-0973 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 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

References: we are preparing a list of scientific research reports with 8013-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0973?
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What is the minimum amount of 8013-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0973
  • 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 8013-0973 available by request