SA55-3973 Screening compound: 3-[(4-methoxyphenyl)sulfonyl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound SA55-3973
3-[(4-methoxyphenyl)sulfonyl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
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
SA55-3973
Molecular Formula
C19H25N3O5S (C19 H25 N3 O5 S)
Compound Name
3-[(4-methoxyphenyl)sulfonyl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
IUPAC name
n/a
SMILES
Cn1nc(CCNC(CCS(c(cc2)ccc2OC)(=O)=O)=O)c2c1CCOC2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
407.49
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
-0.113
Distribution Coefficient, logD
-0.113
Water Solubility, LogSw
-2.18
Polar Surface Area
84.700
Acid Dissociation Constant (pKa)
13.96
Base Dissociation Constant (pKb)
1.93
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.37
SA55-3973 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SA55-3973 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)