C776-1288 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

C776-1288 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
C776-1288 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-1288
1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-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

C776-1288

Molecular Formula

C28H30FN5O3S (C28 H30 FN5 O3 S)

Compound Name

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

IUPAC name

1-{1-[(4-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

SMILES

NS(c1ccc(CCNC(C(CC2)CCN2c2nc(cccc3)c3n2Cc(cc2)ccc2F)=O)cc1)(=O)=O

InChI

InChI=1S/C28H30FN5O3S/c29-23-9-5-21(6-10-23)19-34-26-4-2-1-3-25(26)32-28(34)33-17-14-22(15-18-33)27(35)31-16-13-20-7-11-24(12-8-20)38(30,36)37/h1-12,22H,13-19H2,(H,31,35)(H2,30,36,37)

InChI Key

SQRQNHJRJGGXQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.441

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.69

Polar Surface Area

88.018

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C776-1288 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleic Acid Ligands (8311 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C776-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-1288?
Check Price and Availability of C776-1288, 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 C776-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-1288
  • 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 C776-1288 available by request