5079-1734 Screening compound: 1-(4-bromobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

5079-1734 Screening compound: 1-(4-bromobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide
5079-1734 Screening compound: 1-(4-bromobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5079-1734
1-(4-bromobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

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

5079-1734

Molecular Formula

C20H21BrN2O5S (C20 H21 BrN2 O5 S)

Compound Name

1-(4-bromobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

IUPAC name

1-(4-bromobenzenesulfonyl)-N-(23-dihydro-14-benzodioxin-6-yl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H21BrN2O5S/c21-15-1-4-17(5-2-15)29(25,26)23-9-7-14(8-10-23)20(24)22-16-3-6-18-19(13-16)28-12-11-27-18/h1-6,13-14H,7-12H2,(H,22,24)

InChI Key

IKLQITDHWGNNBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-3.09

Polar Surface Area

70.864

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5079-1734 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5079-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5079-1734?
Check Price and Availability of 5079-1734, 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 5079-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5079-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5079-1734
  • 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 5079-1734 available by request