C085-0884 Screening compound: 1-[(2,5-DIMETHOXYPHENYL)SULFONYL]-2-METHYLINDOLINE

C085-0884 Screening compound: 1-[(2,5-DIMETHOXYPHENYL)SULFONYL]-2-METHYLINDOLINE
C085-0884 Screening compound: 1-[(2,5-DIMETHOXYPHENYL)SULFONYL]-2-METHYLINDOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0884
1-[(2,5-DIMETHOXYPHENYL)SULFONYL]-2-METHYLINDOLINE

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

C085-0884

Molecular Formula

C17H19NO4S (C17 H19 NO4 S)

Compound Name

1-[(2,5-DIMETHOXYPHENYL)SULFONYL]-2-METHYLINDOLINE

IUPAC name

n/a

SMILES

CC(Cc1c2cccc1)N2S(c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)17-11-14(21-2)8-9-16(17)22-3/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1

InChI Key

PSQDMZUIZOACLE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03449374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

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

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.84

Polar Surface Area

46.647

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

C085-0884 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C085-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0884?
Check Price and Availability of C085-0884, 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 C085-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0884
  • 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 C085-0884 available by request