8011-6930 Screening compound: N~1~-(3-oxo-1,3-dihydro-5-isobenzofuranyl)-1-cyclohexanecarboxamide

8011-6930 Screening compound: N~1~-(3-oxo-1,3-dihydro-5-isobenzofuranyl)-1-cyclohexanecarboxamide
8011-6930 Screening compound: N~1~-(3-oxo-1,3-dihydro-5-isobenzofuranyl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6930
N~1~-(3-oxo-1,3-dihydro-5-isobenzofuranyl)-1-cyclohexanecarboxamide

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

8011-6930

Molecular Formula

C15H17NO3 (C15 H17 NO3)

Compound Name

N~1~-(3-oxo-1,3-dihydro-5-isobenzofuranyl)-1-cyclohexanecarboxamide

IUPAC name

N-(3-oxo-13-dihydro-2-benzofuran-5-yl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1cc(C(OC2)=O)c2cc1

InChI

InChI=1S/C15H17NO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h6-8,10H,1-5,9H2,(H,16,17)

InChI Key

GMVUKSOBWYCISP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-3.01

Polar Surface Area

46.094

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

8011-6930 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8011-6930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6930?
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What is the minimum amount of 8011-6930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6930
  • 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 8011-6930 available by request