5079-0820 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-carbonyl]azepane

5079-0820 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-carbonyl]azepane
5079-0820 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 5079-0820
1-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-carbonyl]azepane

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

5079-0820

Molecular Formula

C20H30N2O5S (C20 H30 N2 O5 S)

Compound Name

1-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-carbonyl]azepane

IUPAC name

1-[1-(34-dimethoxybenzenesulfonyl)piperidine-4-carbonyl]azepane

SMILES

COc(ccc(S(N(CC1)CCC1C(N1CCCCCC1)=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C20H30N2O5S/c1-26-18-8-7-17(15-19(18)27-2)28(24,25)22-13-9-16(10-14-22)20(23)21-11-5-3-4-6-12-21/h7-8,15-16H,3-6,9-14H2,1-2H3

InChI Key

CBAOWJOMDKQAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.75

Polar Surface Area

64.190

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

5079-0820 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 5079-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5079-0820?
Check Price and Availability of 5079-0820, 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 5079-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5079-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5079-0820
  • 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 5079-0820 available by request