D335-0189 Screening compound: 3-chloro-4-methoxy-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}benzamide

D335-0189 Screening compound: 3-chloro-4-methoxy-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}benzamide
D335-0189 Screening compound: 3-chloro-4-methoxy-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0189
3-chloro-4-methoxy-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}benzamide

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

D335-0189

Molecular Formula

C20H30ClN3O2 (C20 H30 ClN3 O2)

Compound Name

3-chloro-4-methoxy-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}benzamide

IUPAC name

3-chloro-4-methoxy-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}benzamide

SMILES

CN(CC1)CCN1C1(CNC(c(cc2)cc(Cl)c2OC)=O)CCCCC1

InChI

InChI=1S/C20H30ClN3O2/c1-23-10-12-24(13-11-23)20(8-4-3-5-9-20)15-22-19(25)16-6-7-18(26-2)17(21)14-16/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,25)

InChI Key

BWMOHNCQDSAYRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.66

Polar Surface Area

38.992

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

D335-0189 in Drug Discovery

Included in Screening Libraries

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

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D335-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0189?
Check Price and Availability of D335-0189, 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 D335-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0189
  • 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 D335-0189 available by request