8019-8325 Screening compound: 4-amino-5-methyl-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile

8019-8325 Screening compound: 4-amino-5-methyl-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
8019-8325 Screening compound: 4-amino-5-methyl-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8325
4-amino-5-methyl-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile

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

8019-8325

Molecular Formula

C15H11N5O (C15 H11 N5 O)

Compound Name

4-amino-5-methyl-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile

IUPAC name

4-amino-5-methyl-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-166-tricarbonitrile

SMILES

CC(C12C#N)(C2(C#N)C#N)C(c2ccccc2)(N)NC1=O

InChI

InChI=1S/C15H11N5O/c1-12-13(7-16,8-17)14(12,9-18)11(21)20-15(12,19)10-5-3-2-4-6-10/h2-6H,19H2,1H3,(H,20,21)

InChI Key

FWNQIUNNVNZYJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.121

Distribution Coefficient, logD

1.121

Water Solubility, LogSw

-1.89

Polar Surface Area

98.959

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

8019-8325 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-8325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8325?
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What is the minimum amount of 8019-8325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8325
  • 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 8019-8325 available by request