K786-8198 Screening compound: 3-[(2-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidino)ethyl]propanamide

K786-8198 Screening compound: 3-[(2-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidino)ethyl]propanamide
K786-8198 Screening compound: 3-[(2-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidino)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8198
3-[(2-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidino)ethyl]propanamide

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

K786-8198

Molecular Formula

C19H30N2O3S (C19 H30 N2 O3 S)

Compound Name

3-[(2-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidino)ethyl]propanamide

IUPAC name

3-[(2-methylphenyl)methanesulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

SMILES

CC1N(CCNC(CCS(Cc2c(C)cccc2)(=O)=O)=O)CCCC1

InChI

InChI=1S/C19H30N2O3S/c1-16-7-3-4-9-18(16)15-25(23,24)14-10-19(22)20-11-13-21-12-6-5-8-17(21)2/h3-4,7,9,17H,5-6,8,10-15H2,1-2H3,(H,20,22)/t17-/m0/s1

InChI Key

ZDLIYHNTZNCCFE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04063666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.653

Distribution Coefficient, logD

-0.319

Water Solubility, LogSw

-2.35

Polar Surface Area

56.013

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

K786-8198 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-8198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8198?
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What is the minimum amount of K786-8198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8198
  • 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 K786-8198 available by request