C776-3318 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

C776-3318 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
C776-3318 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3318
1-(1H-1,3-benzodiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

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

C776-3318

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

IUPAC name

1-(1H-13-benzodiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

SMILES

NS(c1ccc(CCNC(C(CCC2)CN2c2nc(cccc3)c3[nH]2)=O)cc1)(=O)=O

InChI

InChI=1S/C21H25N5O3S/c22-30(28,29)17-9-7-15(8-10-17)11-12-23-20(27)16-4-3-13-26(14-16)21-24-18-5-1-2-6-19(18)25-21/h1-2,5-10,16H,3-4,11-14H2,(H,23,27)(H,24,25)(H2,22,28,29)/t16-/m0/s1

InChI Key

BJACRHAWVRVRAV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14793116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.144

Distribution Coefficient, logD

1.095

Water Solubility, LogSw

-2.24

Polar Surface Area

96.700

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C776-3318 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Inflammatory Library (24602 compounds)

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

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C776-3318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3318?
Check Price and Availability of C776-3318, 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 C776-3318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3318
  • 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 C776-3318 available by request