D491-4828 Screening compound: N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]-4-(propan-2-yloxy)benzamide

D491-4828 Screening compound: N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]-4-(propan-2-yloxy)benzamide
D491-4828 Screening compound: N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]-4-(propan-2-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4828
N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]-4-(propan-2-yloxy)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

D491-4828

Molecular Formula

C22H30N2O2S (C22 H30 N2 O2 S)

Compound Name

N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]-4-(propan-2-yloxy)benzamide

IUPAC name

N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]-4-(propan-2-yloxy)benzamide

SMILES

CC(C)Oc(cc1)ccc1C(NCC(c1cccs1)N1CCC(C)CC1)=O

InChI

InChI=1S/C22H30N2O2S/c1-16(2)26-19-8-6-18(7-9-19)22(25)23-15-20(21-5-4-14-27-21)24-12-10-17(3)11-13-24/h4-9,14,16-17,20H,10-13,15H2,1-3H3,(H,23,25)/t20-/m0/s1

InChI Key

KSAZRYSJLKUEQG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD18077019

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.56

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

4.130

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.03

Polar Surface Area

35.462

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D491-4828 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D491-4828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4828?
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What is the minimum amount of D491-4828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4828
  • 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 D491-4828 available by request