C481-1207 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide

C481-1207 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide
C481-1207 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1207
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide

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

C481-1207

Molecular Formula

C23H20N4O5S2 (C23 H20 N4 O5 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(23-dihydro-14-benzodioxin-6-yl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)NS(c1cccc2nsnc12)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H20N4O5S2/c28-23(24-16-9-10-19-20(14-16)32-12-11-31-19)18(13-15-5-2-1-3-6-15)27-34(29,30)21-8-4-7-17-22(21)26-33-25-17/h1-10,14,18,27H,11-13H2,(H,24,28)/t18-/m0/s1

InChI Key

KBDMWLFCQFGRNU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14760685

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

2.823

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.46

Polar Surface Area

101.708

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C481-1207 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with C481-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1207?
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What is the minimum amount of C481-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1207
  • 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 C481-1207 available by request