P573-6720 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide
Chemical Structure Depiction of ChemDiv screening compound P573-6720
N-(2H-1,3-benzodioxol-5-yl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide
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
P573-6720
Molecular Formula
C20H15FN6O4 (C20 H15 FN6 O4)
Compound Name
N-(2H-1,3-benzodioxol-5-yl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}acetamide
IUPAC name
N-(2H-13-benzodioxol-5-yl)-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H3H-[124]triazolo[43-a]pyrimidin-2-yl}acetamide
SMILES
O=C(CN(C(N1C=C2)=O)N=C1N=C2Nc(cc1)ccc1F)Nc(cc1)cc2c1OCO2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
422.38
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.658
Distribution Coefficient, logD
2.656
Water Solubility, LogSw
-3.09
Polar Surface Area
92.110
Acid Dissociation Constant (pKa)
9.64
Base Dissociation Constant (pKb)
2.92
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
P573-6720 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
- Agro
References: we are preparing a list of scientific research reports with P573-6720 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)