D491-8256 Screening compound: 3-chloro-4-methoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide

D491-8256 Screening compound: 3-chloro-4-methoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
D491-8256 Screening compound: 3-chloro-4-methoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-8256
3-chloro-4-methoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]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

D491-8256

Molecular Formula

C21H27ClN2O3 (C21 H27 ClN2 O3)

Compound Name

3-chloro-4-methoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide

IUPAC name

3-chloro-4-methoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide

SMILES

CC(CC1)CCN1C(CNC(c(cc1)cc(Cl)c1OC)=O)c1ccc(C)o1

InChI

InChI=1S/C21H27ClN2O3/c1-14-8-10-24(11-9-14)18(20-6-4-15(2)27-20)13-23-21(25)16-5-7-19(26-3)17(22)12-16/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,23,25)/t18-/m0/s1

InChI Key

ZCOPBYPCBHJRKA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14832751

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

390.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-4.47

Polar Surface Area

43.364

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

D491-8256 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D491-8256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-8256?
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What is the minimum amount of D491-8256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-8256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-8256
  • 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 D491-8256 available by request