C793-0377 Screening compound: 5-[(4-methylphenyl)methanesulfonyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of ChemDiv screening compound C793-0377
5-[(4-methylphenyl)methanesulfonyl]-1,3,4-thiadiazol-2-amine
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
C793-0377
Molecular Formula
C10H11N3O2S2 (C10 H11 N3 O2 S2)
Compound Name
5-[(4-methylphenyl)methanesulfonyl]-1,3,4-thiadiazol-2-amine
IUPAC name
5-[(4-methylphenyl)methanesulfonyl]-134-thiadiazol-2-amine
SMILES
Cc1ccc(CS(c2nnc(N)s2)(=O)=O)cc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
269.35
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.260
Distribution Coefficient, logD
1.260
Water Solubility, LogSw
-2.08
Polar Surface Area
73.080
Acid Dissociation Constant (pKa)
17.54
Base Dissociation Constant (pKb)
-2.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
C793-0377 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with C793-0377 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)