C548-2835 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-ethoxyphenyl)-3-methylbutanamide

C548-2835 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-ethoxyphenyl)-3-methylbutanamide
C548-2835 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-ethoxyphenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2835
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-ethoxyphenyl)-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

C548-2835

Molecular Formula

C19H22N4O4S2 (C19 H22 N4 O4 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-ethoxyphenyl)-3-methylbutanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(4-ethoxyphenyl)-3-methylbutanamide

SMILES

CCOc(cc1)ccc1NC(C(C(C)C)NS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C19H22N4O4S2/c1-4-27-14-10-8-13(9-11-14)20-19(24)17(12(2)3)23-29(25,26)16-7-5-6-15-18(16)22-28-21-15/h5-12,17,23H,4H2,1-3H3,(H,20,24)/t17-/m0/s1

InChI Key

WWVSXLMGMHJFIS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14769455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.54

Polar Surface Area

93.001

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C548-2835 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with C548-2835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2835?
Check Price and Availability of C548-2835, 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 C548-2835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2835
  • 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 C548-2835 available by request