P573-1635 Screening compound: methyl 4-{2-[7-(3-methylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamido}benzoate
Chemical Structure Depiction of ChemDiv screening compound P573-1635
methyl 4-{2-[7-(3-methylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamido}benzoate
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
P573-1635
Molecular Formula
C21H24N6O4 (C21 H24 N6 O4)
Compound Name
methyl 4-{2-[7-(3-methylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamido}benzoate
IUPAC name
methyl 4-{2-[7-(3-methylpiperidin-1-yl)-3-oxo-2H3H-[124]triazolo[43-a]pyrimidin-2-yl]acetamido}benzoate
SMILES
CC(CCC1)CN1C(C=CN12)=NC1=NN(CC(Nc(cc1)ccc1C(OC)=O)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.46
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.229
Distribution Coefficient, logD
2.229
Water Solubility, LogSw
-2.80
Polar Surface Area
89.313
Acid Dissociation Constant (pKa)
11.55
Base Dissociation Constant (pKb)
3.45
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.10
P573-1635 in Drug Discovery
Included in Screening Libraries
Integrin Receptors Targeted library (1715 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Others
- Proteases
References: we are preparing a list of scientific research reports with P573-1635 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)