6234-0155 Screening compound: 2-amino-4,4-dibutoxy-6-(4-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

6234-0155 Screening compound: 2-amino-4,4-dibutoxy-6-(4-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
6234-0155 Screening compound: 2-amino-4,4-dibutoxy-6-(4-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6234-0155
2-amino-4,4-dibutoxy-6-(4-fluorophenyl)-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

6234-0155

Molecular Formula

C21H25FN4O2 (C21 H25 FN4 O2)

Compound Name

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

IUPAC name

2-amino-44-dibutoxy-6-(4-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-15-dicarbonitrile

SMILES

CCCCOC(C(C1c(cc2)ccc2F)(C11C#N)C#N)(N=C1N)OCCCC

InChI

InChI=1S/C21H25FN4O2/c1-3-5-11-27-21(28-12-6-4-2)20(14-24)17(15-7-9-16(22)10-8-15)19(20,13-23)18(25)26-21/h7-10,17H,3-6,11-12H2,1-2H3,(H2,25,26)

InChI Key

ICWPCKUZWCUMEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-4.46

Polar Surface Area

78.927

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.10

6234-0155 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 6234-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6234-0155?
Check Price and Availability of 6234-0155, 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 6234-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6234-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6234-0155
  • 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 6234-0155 available by request