4358-5655 Screening compound: 4-(azepane-1-sulfonyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide

4358-5655 Screening compound: 4-(azepane-1-sulfonyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide
4358-5655 Screening compound: 4-(azepane-1-sulfonyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-5655
4-(azepane-1-sulfonyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide

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

4358-5655

Molecular Formula

C23H26N4O6S2 (C23 H26 N4 O6 S2)

Compound Name

4-(azepane-1-sulfonyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide

IUPAC name

4-(azepane-1-sulfonyl)-N-{4-[(5-methyl-12-oxazol-3-yl)sulfamoyl]phenyl}benzamide

SMILES

Cc1cc(NS(c(cc2)ccc2NC(c(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)(=O)=O)no1

InChI

InChI=1S/C23H26N4O6S2/c1-17-16-22(25-33-17)26-34(29,30)20-12-8-19(9-13-20)24-23(28)18-6-10-21(11-7-18)35(31,32)27-14-4-2-3-5-15-27/h6-13,16H,2-5,14-15H2,1H3,(H,24,28)(H,25,26)

InChI Key

ARIXLMMDHAEAEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02370157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-3.88

Polar Surface Area

117.817

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

4358-5655 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4358-5655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-5655?
Check Price and Availability of 4358-5655, 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 4358-5655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-5655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-5655
  • 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 4358-5655 available by request