4648-0009 Screening compound: 4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine
Chemical Structure Depiction of ChemDiv screening compound 4648-0009
4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine
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
4648-0009
Molecular Formula
C13H12Cl2N2OS (C13 H12 Cl2 N2 OS)
Compound Name
4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine
IUPAC name
46-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine
SMILES
COc1ccc(Cc(c(Cl)nc(SC)n2)c2Cl)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
315.22
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.158
Distribution Coefficient, logD
4.158
Water Solubility, LogSw
-4.40
Polar Surface Area
26.079
Acid Dissociation Constant (pKa)
21.20
Base Dissociation Constant (pKb)
-2.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.10
4648-0009 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 4648-0009 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)