C481-0345 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-cyclooctyl-2-phenylacetamide

C481-0345 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-cyclooctyl-2-phenylacetamide
C481-0345 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-cyclooctyl-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0345
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-cyclooctyl-2-phenylacetamide

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

C481-0345

Molecular Formula

C22H26N4O3S2 (C22 H26 N4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-cyclooctyl-2-phenylacetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-cyclooctyl-2-phenylacetamide

SMILES

O=C(C(c1ccccc1)NS(c1cccc2nsnc12)(=O)=O)NC1CCCCCCC1

InChI

InChI=1S/C22H26N4O3S2/c27-22(23-17-12-7-2-1-3-8-13-17)20(16-10-5-4-6-11-16)26-31(28,29)19-15-9-14-18-21(19)25-30-24-18/h4-6,9-11,14-15,17,20,26H,1-3,7-8,12-13H2,(H,23,27)/t20-/m1/s1

InChI Key

MPWBQZGOBOSVLV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14760508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.564

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.42

Polar Surface Area

86.985

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C481-0345 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C481-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0345?
Check Price and Availability of C481-0345, 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 C481-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0345
  • 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 C481-0345 available by request