K786-8679 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]propanamide

K786-8679 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]propanamide
K786-8679 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8679
N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]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

K786-8679

Molecular Formula

C19H23NO4S (C19 H23 NO4 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]propanamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]propanamide

SMILES

Cc1ccc(CS(CCC(NCc(cccc2)c2OC)=O)(=O)=O)cc1

InChI

InChI=1S/C19H23NO4S/c1-15-7-9-16(10-8-15)14-25(22,23)12-11-19(21)20-13-17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3,(H,20,21)

InChI Key

DTLNGNFTCQZAGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.46

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

2.197

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.53

Polar Surface Area

60.369

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K786-8679 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-8679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8679?
Check Price and Availability of K786-8679, 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 K786-8679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8679
  • 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 K786-8679 available by request