C481-0464 Screening compound: ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetyl]piperazine-1-carboxylate

C481-0464 Screening compound: ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetyl]piperazine-1-carboxylate
C481-0464 Screening compound: ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0464
ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetyl]piperazine-1-carboxylate

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

C481-0464

Molecular Formula

C21H23N5O5S2 (C21 H23 N5 O5 S2)

Compound Name

ethyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(213-benzothiadiazole-4-sulfonamido)-2-phenylacetyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(c1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O)=O

InChI

InChI=1S/C21H23N5O5S2/c1-2-31-21(28)26-13-11-25(12-14-26)20(27)18(15-7-4-3-5-8-15)24-33(29,30)17-10-6-9-16-19(17)23-32-22-16/h3-10,18,24H,2,11-14H2,1H3/t18-/m1/s1

InChI Key

WAXMIGLWGCOYGN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14760534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.58

Polar Surface Area

101.943

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C481-0464 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C481-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0464?
Check Price and Availability of C481-0464, 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 C481-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0464
  • 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 C481-0464 available by request