4340-1545 Screening compound: methyl 2-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 4340-1545
methyl 2-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-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
4340-1545
Molecular Formula
C29H21ClN2O6S (C29 H21 ClN2 O6 S)
Compound Name
methyl 2-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
IUPAC name
methyl 2-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate
SMILES
Cc1c(C(OC)=O)sc(N(C(C(C(c(cc2)ccc2Cl)=O)=C2O)c3cc(Oc4ccccc4)ccc3)C2=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
561.01
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
6.159
Distribution Coefficient, logD
6.017
Water Solubility, LogSw
-5.96
Polar Surface Area
82.534
Acid Dissociation Constant (pKa)
7.81
Base Dissociation Constant (pKb)
-4.91
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
10.30
4340-1545 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with 4340-1545 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)