F644-0487 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(morpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
Chemical Structure Depiction of ChemDiv screening compound F644-0487
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(morpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
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
F644-0487
Molecular Formula
C24H28N6O4 (C24 H28 N6 O4)
Compound Name
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3,5-dimethyl-1-[6-(morpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
IUPAC name
N-[(2H-13-benzodioxol-5-yl)methyl]-3-{35-dimethyl-1-[6-(morpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
SMILES
Cc1c(CCC(NCc(cc2)cc3c2OCO3)=O)c(C)nn1-c1ncnc(N2CCOCC2)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
464.52
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.742
Distribution Coefficient, logD
2.708
Water Solubility, LogSw
-3.15
Polar Surface Area
86.070
Acid Dissociation Constant (pKa)
14.38
Base Dissociation Constant (pKb)
6.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
F644-0487 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with F644-0487 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)