D335-0254 Screening compound: N-{[1-(dimethylamino)cyclohexyl]methyl}-3-methylbenzamide

D335-0254 Screening compound: N-{[1-(dimethylamino)cyclohexyl]methyl}-3-methylbenzamide
D335-0254 Screening compound: N-{[1-(dimethylamino)cyclohexyl]methyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0254
N-{[1-(dimethylamino)cyclohexyl]methyl}-3-methylbenzamide

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

D335-0254

Molecular Formula

C17H26N2O (C17 H26 N2 O)

Compound Name

N-{[1-(dimethylamino)cyclohexyl]methyl}-3-methylbenzamide

IUPAC name

N-{[1-(dimethylamino)cyclohexyl]methyl}-3-methylbenzamide

SMILES

Cc1cccc(C(NCC2(CCCCC2)N(C)C)=O)c1

InChI

InChI=1S/C17H26N2O/c1-14-8-7-9-15(12-14)16(20)18-13-17(19(2)3)10-5-4-6-11-17/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,18,20)

InChI Key

IUJSRNGQLYDDBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08544870

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

274.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-3.25

Polar Surface Area

27.237

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

D335-0254 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D335-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0254?
Check Price and Availability of D335-0254, 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 D335-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0254
  • 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 D335-0254 available by request