8018-2406 Screening compound: 5-cyano-6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hex-1-yl cyanide

8018-2406 Screening compound: 5-cyano-6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hex-1-yl cyanide
8018-2406 Screening compound: 5-cyano-6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hex-1-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2406
5-cyano-6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hex-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

8018-2406

Molecular Formula

C13H6FN3O2 (C13 H6 FN3 O2)

Compound Name

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

IUPAC name

6-(4-fluorophenyl)-24-dioxo-3-azabicyclo[3.1.0]hexane-15-dicarbonitrile

SMILES

N#CC(C1c(cc2)ccc2F)(C1(C(N1)=O)C#N)C1=O

InChI

InChI=1S/C13H6FN3O2/c14-8-3-1-7(2-4-8)9-12(5-15)10(18)17-11(19)13(9,12)6-16/h1-4,9H,(H,17,18,19)

InChI Key

RCOOLUBIRSDEAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.081

Distribution Coefficient, logD

1.079

Water Solubility, LogSw

-1.95

Polar Surface Area

73.368

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.08

8018-2406 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2406?
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What is the minimum amount of 8018-2406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2406
  • 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 8018-2406 available by request