L681-0347 Screening compound: 2-{6-benzyl-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
Chemical Structure Depiction of ChemDiv screening compound L681-0347
2-{6-benzyl-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
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
L681-0347
Molecular Formula
C21H19N5O3 (C21 H19 N5 O3)
Compound Name
2-{6-benzyl-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
IUPAC name
2-{6-benzyl-2-methyl-57-dioxo-2H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-phenylacetamide
SMILES
Cn(cc1N(CC(Nc2ccccc2)=O)C(N2Cc3ccccc3)=O)nc1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
389.41
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.187
Distribution Coefficient, logD
2.187
Water Solubility, LogSw
-2.62
Polar Surface Area
69.862
Acid Dissociation Constant (pKa)
12.79
Base Dissociation Constant (pKb)
3.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
L681-0347 in Drug Discovery
Included in Screening Libraries
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with L681-0347 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)