V021-8500 Screening compound: 3-chloro-N-(3-methoxyphenyl)-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzamide

V021-8500 Screening compound: 3-chloro-N-(3-methoxyphenyl)-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzamide
V021-8500 Screening compound: 3-chloro-N-(3-methoxyphenyl)-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8500
3-chloro-N-(3-methoxyphenyl)-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}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

V021-8500

Molecular Formula

C29H33ClN2O5 (C29 H33 ClN2 O5)

Compound Name

3-chloro-N-(3-methoxyphenyl)-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzamide

IUPAC name

3-chloro-N-(3-methoxyphenyl)-N-{1-[(234-trimethoxyphenyl)methyl]piperidin-4-yl}benzamide

SMILES

COc1cccc(N(C2CCN(Cc(ccc(OC)c3OC)c3OC)CC2)C(c2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C29H33ClN2O5/c1-34-25-10-6-9-24(18-25)32(29(33)20-7-5-8-22(30)17-20)23-13-15-31(16-14-23)19-21-11-12-26(35-2)28(37-4)27(21)36-3/h5-12,17-18,23H,13-16,19H2,1-4H3

InChI Key

IFNASFFPUSBUIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19913594

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.526

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-5.97

Polar Surface Area

49.091

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

V021-8500 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V021-8500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8500?
Check Price and Availability of V021-8500, 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 V021-8500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8500
  • 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 V021-8500 available by request