K978-0678 Screening compound: N-(2,5-diethoxyphenyl)-3-(4-methylbenzenesulfonyl)propanamide

K978-0678 Screening compound: N-(2,5-diethoxyphenyl)-3-(4-methylbenzenesulfonyl)propanamide
K978-0678 Screening compound: N-(2,5-diethoxyphenyl)-3-(4-methylbenzenesulfonyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0678
N-(2,5-diethoxyphenyl)-3-(4-methylbenzenesulfonyl)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

K978-0678

Molecular Formula

C20H25NO5S (C20 H25 NO5 S)

Compound Name

N-(2,5-diethoxyphenyl)-3-(4-methylbenzenesulfonyl)propanamide

IUPAC name

N-(25-diethoxyphenyl)-3-(4-methylbenzenesulfonyl)propanamide

SMILES

CCOc(cc1)cc(NC(CCS(c2ccc(C)cc2)(=O)=O)=O)c1OCC

InChI

InChI=1S/C20H25NO5S/c1-4-25-16-8-11-19(26-5-2)18(14-16)21-20(22)12-13-27(23,24)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22)

InChI Key

DIPGCWHVDRCTRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.44

Polar Surface Area

65.789

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K978-0678 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K978-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0678?
Check Price and Availability of K978-0678, 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 K978-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0678
  • 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 K978-0678 available by request