C481-1843 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-phenylacetamide

C481-1843 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-phenylacetamide
C481-1843 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1843
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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

C481-1843

Molecular Formula

C23H20N4O5S2 (C23 H20 N4 O5 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-phenylacetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-phenylacetamide

SMILES

O=C(C(c1ccccc1)NS(c1cccc2nsnc12)(=O)=O)NCC1Oc(cccc2)c2OC1

InChI

InChI=1S/C23H20N4O5S2/c28-23(24-13-16-14-31-18-10-4-5-11-19(18)32-16)21(15-7-2-1-3-8-15)27-34(29,30)20-12-6-9-17-22(20)26-33-25-17/h1-12,16,21,27H,13-14H2,(H,24,28)

InChI Key

MRRXQYOQVMCBQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.45

Polar Surface Area

102.608

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

C481-1843 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C481-1843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1843?
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What is the minimum amount of C481-1843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1843
  • 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 C481-1843 available by request