E966-0534 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide

E966-0534 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide
E966-0534 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-0534
N-[3-(methylsulfanyl)phenyl]-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide

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

E966-0534

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-2-oxo-3-(propan-2-ylidene)-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C)=C(c(cc(cc1)S(Nc2cc(SC)ccc2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C18H18N2O3S2/c1-11(2)17-15-10-14(7-8-16(15)19-18(17)21)25(22,23)20-12-5-4-6-13(9-12)24-3/h4-10,20H,1-3H3,(H,19,21)

InChI Key

LSOVMJRDIRABHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.88

Polar Surface Area

66.132

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E966-0534 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E966-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-0534?
Check Price and Availability of E966-0534, 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 E966-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-0534
  • 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 E966-0534 available by request