E726-0320 Screening compound: ethyl 4-amino-2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound E726-0320
ethyl 4-amino-2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)pyrimidine-5-carboxylate
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
E726-0320
Molecular Formula
C19H24N4O4S (C19 H24 N4 O4 S)
Compound Name
ethyl 4-amino-2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)pyrimidine-5-carboxylate
IUPAC name
ethyl 4-amino-2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)pyrimidine-5-carboxylate
SMILES
CCC(C(Nc(cccc1)c1OCC)=O)Sc(nc1)nc(N)c1C(OCC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
404.49
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
3.692
Distribution Coefficient, logD
3.692
Water Solubility, LogSw
-3.93
Polar Surface Area
89.107
Acid Dissociation Constant (pKa)
10.95
Base Dissociation Constant (pKb)
2.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.80
E726-0320 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with E726-0320 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)