3019-0531 Screening compound: 1-[2-(4-{4-[2-(3,5-dimethylpiperidin-1-yl)ethanesulfonyl]phenoxy}benzenesulfonyl)ethyl]-3,5-dimethylpiperidine

3019-0531 Screening compound: 1-[2-(4-{4-[2-(3,5-dimethylpiperidin-1-yl)ethanesulfonyl]phenoxy}benzenesulfonyl)ethyl]-3,5-dimethylpiperidine
3019-0531 Screening compound: 1-[2-(4-{4-[2-(3,5-dimethylpiperidin-1-yl)ethanesulfonyl]phenoxy}benzenesulfonyl)ethyl]-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0531
1-[2-(4-{4-[2-(3,5-dimethylpiperidin-1-yl)ethanesulfonyl]phenoxy}benzenesulfonyl)ethyl]-3,5-dimethylpiperidine

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

3019-0531

Molecular Formula

C30H44N2O5S2 (C30 H44 N2 O5 S2)

Compound Name

1-[2-(4-{4-[2-(3,5-dimethylpiperidin-1-yl)ethanesulfonyl]phenoxy}benzenesulfonyl)ethyl]-3,5-dimethylpiperidine

IUPAC name

n/a

SMILES

CC1CN(CCS(c(cc2)ccc2Oc(cc2)ccc2S(CCN2CC(C)CC(C)C2)(=O)=O)(=O)=O)CC(C)C1

InChI

InChI=1S/C30H44N2O5S2/c1-23-17-24(2)20-31(19-23)13-15-38(33,34)29-9-5-27(6-10-29)37-28-7-11-30(12-8-28)39(35,36)16-14-32-21-25(3)18-26(4)22-32/h5-12,23-26H,13-22H2,1-4H3

InChI Key

XKKAUSKWRNFREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.82

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.160

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-5.03

Polar Surface Area

72.214

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.00

3019-0531 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3019-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0531?
Check Price and Availability of 3019-0531, 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 3019-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0531
  • 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 3019-0531 available by request