F858-0026 Screening compound: N~2~-(2-furylmethyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound F858-0026
N~2~-(2-furylmethyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide
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
F858-0026
Molecular Formula
C20H25N5O5S (C20 H25 N5 O5 S)
Compound Name
N~2~-(2-furylmethyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide
IUPAC name
N-[(furan-2-yl)methyl]-1-{[1-(2-methoxyethyl)-1H-123-benzotriazol-5-yl]sulfonyl}piperidine-2-carboxamide
SMILES
COCCn1nnc2c1ccc(S(N(CCCC1)C1C(NCc1ccco1)=O)(=O)=O)c2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
447.52
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.507
Distribution Coefficient, logD
1.507
Water Solubility, LogSw
-2.49
Polar Surface Area
98.601
Acid Dissociation Constant (pKa)
11.68
Base Dissociation Constant (pKb)
1.14
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
45.00
F858-0026 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Angiogenesis library (14822 compounds)
GPCR Targeted Library (31838 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Antiviral
- Infections
- Immune system
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with F858-0026 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)