6234-0133 Screening compound: 2-amino-6-(3-bromophenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

6234-0133 Screening compound: 2-amino-6-(3-bromophenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
6234-0133 Screening compound: 2-amino-6-(3-bromophenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6234-0133
2-amino-6-(3-bromophenyl)-4,4-diethoxy-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

6234-0133

Molecular Formula

C17H17BrN4O2 (C17 H17 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c2cccc(Br)c2)(C11C#N)C#N)(N=C1N)OCC

InChI

InChI=1S/C17H17BrN4O2/c1-3-23-17(24-4-2)16(10-20)13(11-6-5-7-12(18)8-11)15(16,9-19)14(21)22-17/h5-8,13H,3-4H2,1-2H3,(H2,21,22)

InChI Key

YOHWCWVJPIEOPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

0.577

Water Solubility, LogSw

-3.56

Polar Surface Area

78.338

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.10

6234-0133 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 6234-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6234-0133?
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What is the minimum amount of 6234-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6234-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6234-0133
  • 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 6234-0133 available by request