D718-1174 Screening compound: 2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanol
Chemical Structure Depiction of ChemDiv screening compound D718-1174
2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanol
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
D718-1174
Molecular Formula
C10H10N4OS (C10 H10 N4 OS)
Compound Name
2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanol
IUPAC name
2-{2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}ethan-1-ol
SMILES
OCCSc1nnc2n1c(cccc1)c1[nH]2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
234.28
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.704
Distribution Coefficient, logD
0.702
Water Solubility, LogSw
-1.43
Polar Surface Area
49.058
Acid Dissociation Constant (pKa)
15.18
Base Dissociation Constant (pKb)
4.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
D718-1174 in Drug Discovery
Included in Screening Libraries
Protein Kinases Inhibitors Library (36801 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Kinases
References: we are preparing a list of scientific research reports with D718-1174 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)