8011-4746 Screening compound: 5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

8011-4746 Screening compound: 5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
8011-4746 Screening compound: 5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4746
5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-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

8011-4746

Molecular Formula

C19H19N5O2 (C19 H19 N5 O2)

Compound Name

5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

IUPAC name

5-amino-3-(4-methoxyphenyl)-48-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-122-tricarbonitrile

SMILES

CC(C(C(C)C(C1(C#N)C#N)c(cc2)ccc2OC)(N)NC2=O)C12C#N

InChI

InChI=1S/C19H19N5O2/c1-11-15(13-4-6-14(26-3)7-5-13)17(8-20,9-21)18(10-22)12(2)19(11,23)24-16(18)25/h4-7,11-12,15H,23H2,1-3H3,(H,24,25)

InChI Key

WACMRRYCGGTTAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-2.14

Polar Surface Area

105.955

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 8011-4746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4746?
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What is the minimum amount of 8011-4746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4746
  • 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 8011-4746 available by request