D054-0035 Screening compound: 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine
Chemical Structure Depiction of ChemDiv screening compound D054-0035
5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-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
D054-0035
Molecular Formula
C17H19ClN4O2S (C17 H19 ClN4 O2 S)
Compound Name
5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine
IUPAC name
5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(methylsulfanyl)pyrimidine
SMILES
COc(cccc1)c1N(CC1)CCN1C(c(nc(nc1)SC)c1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
378.88
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.126
Distribution Coefficient, logD
3.126
Water Solubility, LogSw
-3.28
Polar Surface Area
46.062
Acid Dissociation Constant (pKa)
25.50
Base Dissociation Constant (pKb)
5.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.30
D054-0035 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Kinases Annotated Library (2415 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with D054-0035 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)