C481-0801 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide

C481-0801 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
C481-0801 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0801
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,5-dimethoxyphenyl)-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

C481-0801

Molecular Formula

C23H22N4O5S2 (C23 H22 N4 O5 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(25-dimethoxyphenyl)-3-phenylpropanamide

SMILES

COc(cc1)cc(NC(C(Cc2ccccc2)NS(c2cccc3nsnc23)(=O)=O)=O)c1OC

InChI

InChI=1S/C23H22N4O5S2/c1-31-16-11-12-20(32-2)18(14-16)24-23(28)19(13-15-7-4-3-5-8-15)27-34(29,30)21-10-6-9-17-22(21)26-33-25-17/h3-12,14,19,27H,13H2,1-2H3,(H,24,28)/t19-/m0/s1

InChI Key

XRXDTEFHUOJVOC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14760604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.14

Polar Surface Area

100.361

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C481-0801 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C481-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0801?
Check Price and Availability of C481-0801, 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 C481-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0801
  • 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 C481-0801 available by request