S791-0005 Screening compound: 1-(3-furylcarbonyl)-8-(methylsulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of ChemDiv screening compound S791-0005
1-(3-furylcarbonyl)-8-(methylsulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
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
S791-0005
Molecular Formula
C20H25N3O5S (C20 H25 N3 O5 S)
Compound Name
1-(3-furylcarbonyl)-8-(methylsulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
IUPAC name
n/a
SMILES
CS(N(CCCN(CCNC(C1)=O)C(c2cocc2)=O)C1c1ccccc1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
419.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.587
Distribution Coefficient, logD
0.587
Water Solubility, LogSw
-2.20
Polar Surface Area
81.527
Acid Dissociation Constant (pKa)
14.58
Base Dissociation Constant (pKb)
-2.11
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
S791-0005 in Drug Discovery
Included in Screening Libraries
Macrocycles Library (2450 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S791-0005 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)