E966-0475 Screening compound: 5-(azepane-1-sulfonyl)-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one

E966-0475 Screening compound: 5-(azepane-1-sulfonyl)-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
E966-0475 Screening compound: 5-(azepane-1-sulfonyl)-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-0475
5-(azepane-1-sulfonyl)-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one

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

E966-0475

Molecular Formula

C17H22N2O3S (C17 H22 N2 O3 S)

Compound Name

5-(azepane-1-sulfonyl)-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one

IUPAC name

5-(azepane-1-sulfonyl)-3-(propan-2-ylidene)-23-dihydro-1H-indol-2-one

SMILES

CC(C)=C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C17H22N2O3S/c1-12(2)16-14-11-13(7-8-15(14)18-17(16)20)23(21,22)19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)

InChI Key

ZRHPTLIVOSPUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.52

Polar Surface Area

57.524

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E966-0475 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E966-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-0475?
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What is the minimum amount of E966-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-0475
  • 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 E966-0475 available by request