8018-6263 Screening compound: 3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridinium
Chemical Structure Depiction of ChemDiv screening compound 8018-6263
3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridinium
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
8018-6263
Molecular Formula
C21H18N5O2S (C21 H18 N5 O2 S)
Compound Name
3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridinium
IUPAC name
n/a
SMILES
CN(c1c(C(N2)=O)n(c(C[n+]3cc(Cc4ccccc4)ccc3)cs3)c3n1)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
Cl-
Molecular Weight
404.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.213
Distribution Coefficient, logD
3.202
Water Solubility, LogSw
-3.37
Polar Surface Area
54.981
Acid Dissociation Constant (pKa)
8.98
Base Dissociation Constant (pKb)
-0.79
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
References: we are preparing a list of scientific research reports with 8018-6263 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)