8018-0771 Screening compound: 1-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetone
Chemical Structure Depiction of ChemDiv screening compound 8018-0771
1-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetone
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
8018-0771
Molecular Formula
C11H10N4OS (C11 H10 N4 OS)
Compound Name
1-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetone
IUPAC name
1-{2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}propan-2-one
SMILES
CC(CSc1nnc2n1c(cccc1)c1[nH]2)=O
InChI
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
246.29
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.201
Distribution Coefficient, logD
1.200
Water Solubility, LogSw
-2.12
Polar Surface Area
45.737
Acid Dissociation Constant (pKa)
15.78
Base Dissociation Constant (pKb)
4.65
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.20
References: we are preparing a list of scientific research reports with 8018-0771 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)