P113-1150 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound P113-1150
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
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
P113-1150
Molecular Formula
C21H26ClN5O2S (C21 H26 ClN5 O2 S)
Compound Name
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
IUPAC name
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-13-thiazole-4-carboxamide
SMILES
O=C(c1csc(N(CC2)CCN2c(cc2)ccc2Cl)n1)NCCCN(CCC1)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
447.99
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.766
Distribution Coefficient, logD
2.766
Water Solubility, LogSw
-3.61
Polar Surface Area
58.539
Acid Dissociation Constant (pKa)
16.29
Base Dissociation Constant (pKb)
1.88
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.60
P113-1150 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Agro
References: we are preparing a list of scientific research reports with P113-1150 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)