8007-3937 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]cyclohexanecarboxamide

8007-3937 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]cyclohexanecarboxamide
8007-3937 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3937
N-[(2H-1,3-benzodioxol-5-yl)methyl]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

8007-3937

Molecular Formula

C15H19NO3 (C15 H19 NO3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]cyclohexanecarboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C15H19NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h6-8,12H,1-5,9-10H2,(H,16,17)

InChI Key

GDZDEBICGBTCRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.08

Polar Surface Area

41.959

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

8007-3937 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-3937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3937?
Check Price and Availability of 8007-3937, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-3937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3937
  • 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 8007-3937 available by request