C481-0653 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-bromo-2-fluorophenyl)-2-phenylacetamide

C481-0653 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-bromo-2-fluorophenyl)-2-phenylacetamide
C481-0653 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-bromo-2-fluorophenyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0653
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-bromo-2-fluorophenyl)-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

C481-0653

Molecular Formula

C20H14BrFN4O3S2 (C20 H14 BrFN4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-bromo-2-fluorophenyl)-2-phenylacetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(4-bromo-2-fluorophenyl)-2-phenylacetamide

SMILES

O=C(C(c1ccccc1)NS(c1cccc2nsnc12)(=O)=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C20H14BrFN4O3S2/c21-13-9-10-15(14(22)11-13)23-20(27)18(12-5-2-1-3-6-12)26-31(28,29)17-8-4-7-16-19(17)25-30-24-16/h1-11,18,26H,(H,23,27)/t18-/m1/s1

InChI Key

DRDWANWLLVCIMP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14760567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.49

Polar Surface Area

84.908

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

C481-0653 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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 C481-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0653?
Check Price and Availability of C481-0653, 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 C481-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0653
  • 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 C481-0653 available by request