S747-1451 Screening compound: N~1~,N~1~-DIMETHYL-4-OXO-8-[3-(2-PYRAZINYL)-1,2,4-OXADIAZOL-5-YL]-1,5-DIAZACYCLOUNDECANE-1-SULFONAMIDE
Chemical Structure Depiction of ChemDiv screening compound S747-1451
N~1~,N~1~-DIMETHYL-4-OXO-8-[3-(2-PYRAZINYL)-1,2,4-OXADIAZOL-5-YL]-1,5-DIAZACYCLOUNDECANE-1-SULFONAMIDE
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
S747-1451
Molecular Formula
C17H25N7O4S (C17 H25 N7 O4 S)
Compound Name
N~1~,N~1~-DIMETHYL-4-OXO-8-[3-(2-PYRAZINYL)-1,2,4-OXADIAZOL-5-YL]-1,5-DIAZACYCLOUNDECANE-1-SULFONAMIDE
IUPAC name
n/a
SMILES
CN(C)S(N(CCCC(CCN1)c2nc(-c3nccnc3)no2)CCC1=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
423.5
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
-0.545
Distribution Coefficient, logD
-0.545
Water Solubility, LogSw
-1.67
Polar Surface Area
111.634
Acid Dissociation Constant (pKa)
14.73
Base Dissociation Constant (pKb)
4.05
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
58.80
S747-1451 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 S747-1451 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)