F644-0856 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrazol-4-yl}propanamide
Chemical Structure Depiction of ChemDiv screening compound F644-0856
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethyl-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
F644-0856
Molecular Formula
C24H32N6O3 (C24 H32 N6 O3)
Compound Name
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrazol-4-yl}propanamide
IUPAC name
N-[2-(34-dimethoxyphenyl)ethyl]-3-{1-[6-(dimethylamino)pyrimidin-4-yl]-35-dimethyl-1H-pyrazol-4-yl}propanamide
SMILES
Cc1c(CCC(NCCc(cc2)cc(OC)c2OC)=O)c(C)nn1-c1ncnc(N(C)C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
452.56
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.228
Distribution Coefficient, logD
1.138
Water Solubility, LogSw
-2.86
Polar Surface Area
75.500
Acid Dissociation Constant (pKa)
14.24
Base Dissociation Constant (pKb)
8.45
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
F644-0856 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 F644-0856 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)