S021-0119 Screening compound: 6-(3-thienylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of ChemDiv screening compound S021-0119
6-(3-thienylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
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
S021-0119
Molecular Formula
C14H12N4O2S (C14 H12 N4 O2 S)
Compound Name
6-(3-thienylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
IUPAC name
12-(thiophene-3-carbonyl)-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one
SMILES
O=C(c1cscc1)N(CC1)CC(N=C2N3NC=C2)=C1C3=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
300.34
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-0.199
Distribution Coefficient, logD
-0.200
Water Solubility, LogSw
-2.08
Polar Surface Area
56.034
Acid Dissociation Constant (pKa)
15.03
Base Dissociation Constant (pKb)
-2.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.40
S021-0119 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- GPCR
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S021-0119 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)