C481-0780 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenyl-N-propylpropanamide

C481-0780 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenyl-N-propylpropanamide
C481-0780 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenyl-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0780
2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenyl-N-propylpropanamide

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

C481-0780

Molecular Formula

C18H20N4O3S2 (C18 H20 N4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenyl-N-propylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-3-phenyl-N-propylpropanamide

SMILES

CCCNC(C(Cc1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C18H20N4O3S2/c1-2-11-19-18(23)15(12-13-7-4-3-5-8-13)22-27(24,25)16-10-6-9-14-17(16)21-26-20-14/h3-10,15,22H,2,11-12H2,1H3,(H,19,23)/t15-/m0/s1

InChI Key

MTMNZHDVMGCZCU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14760600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.667

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-3.01

Polar Surface Area

87.320

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C481-0780 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C481-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0780?
Check Price and Availability of C481-0780, 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 C481-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0780
  • 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 C481-0780 available by request