D335-0326 Screening compound: N-{[1-(dimethylamino)cyclohexyl]methyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide

D335-0326 Screening compound: N-{[1-(dimethylamino)cyclohexyl]methyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide
D335-0326 Screening compound: N-{[1-(dimethylamino)cyclohexyl]methyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0326
N-{[1-(dimethylamino)cyclohexyl]methyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide

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

D335-0326

Molecular Formula

C22H36N2O2 (C22 H36 N2 O2)

Compound Name

N-{[1-(dimethylamino)cyclohexyl]methyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide

IUPAC name

N-{[1-(dimethylamino)cyclohexyl]methyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide

SMILES

CC(C)c(ccc(C)c1)c1OC(C)C(NCC1(CCCCC1)N(C)C)=O

InChI

InChI=1S/C22H36N2O2/c1-16(2)19-11-10-17(3)14-20(19)26-18(4)21(25)23-15-22(24(5)6)12-8-7-9-13-22/h10-11,14,16,18H,7-9,12-13,15H2,1-6H3,(H,23,25)/t18-/m0/s1

InChI Key

MJVMAUDRTHLCDV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12914409

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

360.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-4.35

Polar Surface Area

34.113

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

D335-0326 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D335-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0326?
Check Price and Availability of D335-0326, 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 D335-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0326
  • 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 D335-0326 available by request