8017-4356 Screening compound: 2-amino-5-cyano-6-(2-fluorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-en-1-yl cyanide

8017-4356 Screening compound: 2-amino-5-cyano-6-(2-fluorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-en-1-yl cyanide
8017-4356 Screening compound: 2-amino-5-cyano-6-(2-fluorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-en-1-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4356
2-amino-5-cyano-6-(2-fluorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-en-1-yl cyanide

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

8017-4356

Molecular Formula

C15H13FN4O2 (C15 H13 FN4 O2)

Compound Name

2-amino-5-cyano-6-(2-fluorophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-en-1-yl cyanide

IUPAC name

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

SMILES

COC(C(C1c(cccc2)c2F)(C11C#N)C#N)(N=C1N)OC

InChI

InChI=1S/C15H13FN4O2/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

OUIFFTFHCOJGQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04096670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.29

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

1.702

Distribution Coefficient, logD

-1.548

Water Solubility, LogSw

-1.67

Polar Surface Area

79.179

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

10.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8017-4356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4356?
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What is the minimum amount of 8017-4356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4356
  • 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 8017-4356 available by request