6234-0211 Screening compound: 2-amino-4,4-bis(ethylsulfanyl)-6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

6234-0211 Screening compound: 2-amino-4,4-bis(ethylsulfanyl)-6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
6234-0211 Screening compound: 2-amino-4,4-bis(ethylsulfanyl)-6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6234-0211
2-amino-4,4-bis(ethylsulfanyl)-6-(4-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

6234-0211

Molecular Formula

C18H20N4OS2 (C18 H20 N4 OS2)

Compound Name

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

IUPAC name

2-amino-44-bis(ethylsulfanyl)-6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-15-dicarbonitrile

SMILES

CCSC(C(C1c(cc2)ccc2OC)(C11C#N)C#N)(N=C1N)SCC

InChI

InChI=1S/C18H20N4OS2/c1-4-24-18(25-5-2)17(11-20)14(16(17,10-19)15(21)22-18)12-6-8-13(23-3)9-7-12/h6-9,14H,4-5H2,1-3H3,(H2,21,22)

InChI Key

JKUKBPBRLRCQNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

1.328

Water Solubility, LogSw

-4.09

Polar Surface Area

71.203

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

6234-0211 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 6234-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6234-0211?
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What is the minimum amount of 6234-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6234-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6234-0211
  • 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 6234-0211 available by request