C481-0794 Screening compound: ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenylpropanamido]benzoate

C481-0794 Screening compound: ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenylpropanamido]benzoate
C481-0794 Screening compound: ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenylpropanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0794
ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenylpropanamido]benzoate

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

C481-0794

Molecular Formula

C24H22N4O5S2 (C24 H22 N4 O5 S2)

Compound Name

ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenylpropanamido]benzoate

IUPAC name

ethyl 4-[2-(213-benzothiadiazole-4-sulfonamido)-3-phenylpropanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(Cc1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O)=O

InChI

InChI=1S/C24H22N4O5S2/c1-2-33-24(30)17-11-13-18(14-12-17)25-23(29)20(15-16-7-4-3-5-8-16)28-35(31,32)21-10-6-9-19-22(21)27-34-26-19/h3-14,20,28H,2,15H2,1H3,(H,25,29)/t20-/m0/s1

InChI Key

MRBYWESNCYXGEW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14760601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.25

Polar Surface Area

106.638

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C481-0794 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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 C481-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0794?
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What is the minimum amount of C481-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0794
  • 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 C481-0794 available by request