C481-0388 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide

C481-0388 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
C481-0388 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0388
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-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

C481-0388

Molecular Formula

C25H26N4O5S2 (C25 H26 N4 O5 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-[2-(34-dimethoxyphenyl)ethyl]-3-phenylpropanamide

SMILES

COc(ccc(CCNC(C(Cc1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C25H26N4O5S2/c1-33-21-12-11-18(16-22(21)34-2)13-14-26-25(30)20(15-17-7-4-3-5-8-17)29-36(31,32)23-10-6-9-19-24(23)28-35-27-19/h3-12,16,20,29H,13-15H2,1-2H3,(H,26,30)/t20-/m0/s1

InChI Key

LFENNKJXXBJKPB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14760516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.50

Polar Surface Area

102.309

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C481-0388 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C481-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0388?
Check Price and Availability of C481-0388, 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 C481-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0388
  • 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 C481-0388 available by request