S346-0141 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of ChemDiv screening compound S346-0141
N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclohexanecarboxamide
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
S346-0141
Molecular Formula
C19H24N4O (C19 H24 N4 O)
Compound Name
N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclohexanecarboxamide
IUPAC name
N-(3-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)cyclohexanecarboxamide
SMILES
O=C(C1CCCCC1)Nc1cc(-c2nnc3n2CCCC3)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.43
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.274
Distribution Coefficient, logD
3.271
Water Solubility, LogSw
-3.38
Polar Surface Area
48.215
Acid Dissociation Constant (pKa)
13.40
Base Dissociation Constant (pKb)
5.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.60
S346-0141 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S346-0141 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)