C265-0761 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methylpiperidin-1-yl)sulfonyl]-1,2-dihydroisoquinolin-1-one

C265-0761 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methylpiperidin-1-yl)sulfonyl]-1,2-dihydroisoquinolin-1-one
C265-0761 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methylpiperidin-1-yl)sulfonyl]-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0761
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methylpiperidin-1-yl)sulfonyl]-1,2-dihydroisoquinolin-1-one

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

C265-0761

Molecular Formula

C29H35N3O4S (C29 H35 N3 O4 S)

Compound Name

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methylpiperidin-1-yl)sulfonyl]-1,2-dihydroisoquinolin-1-one

IUPAC name

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methylpiperidin-1-yl)sulfonyl]-12-dihydroisoquinolin-1-one

SMILES

CC(CC1)CCN1S(C(c1c2cccc1)=CN(CC(N1CCC(Cc3ccccc3)CC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C29H35N3O4S/c1-22-11-17-32(18-12-22)37(35,36)27-20-31(29(34)26-10-6-5-9-25(26)27)21-28(33)30-15-13-24(14-16-30)19-23-7-3-2-4-8-23/h2-10,20,22,24H,11-19,21H2,1H3

InChI Key

KVPMOPQMZVFQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.04

Polar Surface Area

64.032

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C265-0761 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C265-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0761?
Check Price and Availability of C265-0761, 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 C265-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0761
  • 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 C265-0761 available by request