C776-0998 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C776-0998
1-{1-[(2-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
C776-0998
Molecular Formula
C28H30FN5O3S (C28 H30 FN5 O3 S)
Compound Name
1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
IUPAC name
1-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
SMILES
NS(c1ccc(CCNC(C(CC2)CCN2c2nc(cccc3)c3n2Cc(cccc2)c2F)=O)cc1)(=O)=O
InChI Key
MDL Number (MFCD)
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
3.690
Distribution Coefficient, logD
3.684
Water Solubility, LogSw
-3.99
Polar Surface Area
88.018
Acid Dissociation Constant (pKa)
10.18
Base Dissociation Constant (pKb)
5.46
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
C776-0998 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
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)
Carbonic Anhydrase II Library (4939 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 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
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Proteases
- Phosphatases
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with C776-0998 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)