D185-0589 Screening compound: 1-{2-[1-(3,4,5-trimethoxybenzoyl)piperidin-2-yl]ethyl}azepane

D185-0589 Screening compound: 1-{2-[1-(3,4,5-trimethoxybenzoyl)piperidin-2-yl]ethyl}azepane
D185-0589 Screening compound: 1-{2-[1-(3,4,5-trimethoxybenzoyl)piperidin-2-yl]ethyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0589
1-{2-[1-(3,4,5-trimethoxybenzoyl)piperidin-2-yl]ethyl}azepane

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

D185-0589

Molecular Formula

C23H36N2O4 (C23 H36 N2 O4)

Compound Name

1-{2-[1-(3,4,5-trimethoxybenzoyl)piperidin-2-yl]ethyl}azepane

IUPAC name

1-{2-[1-(345-trimethoxybenzoyl)piperidin-2-yl]ethyl}azepane

SMILES

COc1cc(C(N2C(CCN3CCCCCC3)CCCC2)=O)cc(OC)c1OC

InChI

InChI=1S/C23H36N2O4/c1-27-20-16-18(17-21(28-2)22(20)29-3)23(26)25-14-9-6-10-19(25)11-15-24-12-7-4-5-8-13-24/h16-17,19H,4-15H2,1-3H3/t19-/m1/s1

InChI Key

HPHIHGMOBLGWIU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12918219

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.579

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-3.55

Polar Surface Area

43.553

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

D185-0589 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D185-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0589?
Check Price and Availability of D185-0589, 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 D185-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0589
  • 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 D185-0589 available by request