8014-2833 Screening compound: ethyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of ChemDiv screening compound 8014-2833
ethyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
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
8014-2833
Molecular Formula
C23H24N4O4S (C23 H24 N4 O4 S)
Compound Name
ethyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
IUPAC name
ethyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-14-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
SMILES
CCOC(c(cc1)ccc1NC(CSC(N(CCc1ccccc1)C(N)=C1)=NC1=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
452.53
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.172
Distribution Coefficient, logD
3.172
Water Solubility, LogSw
-3.46
Polar Surface Area
88.694
Acid Dissociation Constant (pKa)
11.33
Base Dissociation Constant (pKb)
4.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.70
References: we are preparing a list of scientific research reports with 8014-2833 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)