F589-0186 Screening compound: 3-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]-1H-indole

F589-0186 Screening compound: 3-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]-1H-indole
F589-0186 Screening compound: 3-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F589-0186
3-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]-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

F589-0186

Molecular Formula

C30H34N2O4S (C30 H34 N2 O4 S)

Compound Name

3-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]-1H-indole

IUPAC name

3-[1-(34-dimethoxybenzenesulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]-1H-indole

SMILES

Cc1c(C(CC2)CCN2S(c(cc2)cc(OC)c2OC)(=O)=O)c(cccc2)c2n1Cc1c(C)cccc1

InChI

InChI=1S/C30H34N2O4S/c1-21-9-5-6-10-24(21)20-32-22(2)30(26-11-7-8-12-27(26)32)23-15-17-31(18-16-23)37(33,34)25-13-14-28(35-3)29(19-25)36-4/h5-14,19,23H,15-18,20H2,1-4H3

InChI Key

WNCIZHCLLPTBOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.277

Distribution Coefficient, logD

6.277

Water Solubility, LogSw

-5.89

Polar Surface Area

48.139

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F589-0186 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F589-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F589-0186?
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What is the minimum amount of F589-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F589-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F589-0186
  • 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 F589-0186 available by request