C085-0883 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-2,3-dihydro-1H-indole

C085-0883 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-2,3-dihydro-1H-indole
C085-0883 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0883
1-(2,5-dimethoxybenzenesulfonyl)-2,3-dihydro-1H-indole

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

C085-0883

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

1-(2,5-dimethoxybenzenesulfonyl)-2,3-dihydro-1H-indole

IUPAC name

1-(25-dimethoxybenzenesulfonyl)-23-dihydro-1H-indole

SMILES

COc(cc1)cc(S(N(CC2)c3c2cccc3)(=O)=O)c1OC

InChI

InChI=1S/C16H17NO4S/c1-20-13-7-8-15(21-2)16(11-13)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3

InChI Key

VZFAETMGMXHGSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03075104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.37

Polar Surface Area

46.931

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C085-0883 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C085-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0883?
Check Price and Availability of C085-0883, 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 C085-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0883
  • 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 C085-0883 available by request