5408-0433 Screening compound: 1-[2-(hydroxymethyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1,2,3,4-butanetetraol
Chemical Structure Depiction of ChemDiv screening compound 5408-0433
1-[2-(hydroxymethyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1,2,3,4-butanetetraol
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
5408-0433
Molecular Formula
C13H18N2O5S (C13 H18 N2 O5 S)
Compound Name
1-[2-(hydroxymethyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1,2,3,4-butanetetraol
IUPAC name
n/a
SMILES
OCC(C(C(C1(CO)SC(c2ccccc2)=NN1)O)O)O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
314.36
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
6.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-0.404
Distribution Coefficient, logD
-0.406
Water Solubility, LogSw
-1.34
Polar Surface Area
105.717
Acid Dissociation Constant (pKa)
9.73
Base Dissociation Constant (pKb)
1.06
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
46.15
References: we are preparing a list of scientific research reports with 5408-0433 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)