K978-0606 Screening compound: ethyl 4-[3-(4-methylbenzenesulfonyl)propanamido]benzoate

K978-0606 Screening compound: ethyl 4-[3-(4-methylbenzenesulfonyl)propanamido]benzoate
K978-0606 Screening compound: ethyl 4-[3-(4-methylbenzenesulfonyl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0606
ethyl 4-[3-(4-methylbenzenesulfonyl)propanamido]benzoate

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

K978-0606

Molecular Formula

C19H21NO5S (C19 H21 NO5 S)

Compound Name

ethyl 4-[3-(4-methylbenzenesulfonyl)propanamido]benzoate

IUPAC name

ethyl 4-[3-(4-methylbenzenesulfonyl)propanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCS(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C19H21NO5S/c1-3-25-19(22)15-6-8-16(9-7-15)20-18(21)12-13-26(23,24)17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)

InChI Key

RELXWFXHCRZKEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07733317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.50

Polar Surface Area

72.906

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

K978-0606 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 K978-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0606?
Check Price and Availability of K978-0606, 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 K978-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0606
  • 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 K978-0606 available by request