C548-2916 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide

C548-2916 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide
C548-2916 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2916
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide

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

C548-2916

Molecular Formula

C19H20N4O5S2 (C19 H20 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H20N4O5S2/c1-11(2)17(19(24)20-12-6-7-14-15(10-12)28-9-8-27-14)23-30(25,26)16-5-3-4-13-18(16)22-29-21-13/h3-7,10-11,17,23H,8-9H2,1-2H3,(H,20,24)/t17-/m0/s1

InChI Key

HMQYZCSLTGWUQN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14769473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.93

Polar Surface Area

101.701

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C548-2916 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C548-2916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2916?
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What is the minimum amount of C548-2916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2916
  • 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 C548-2916 available by request