P113-0687 Screening compound: 8-[2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
Chemical Structure Depiction of ChemDiv screening compound P113-0687
8-[2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
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
P113-0687
Molecular Formula
C21H26N4O3S (C21 H26 N4 O3 S)
Compound Name
8-[2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
IUPAC name
8-[2-(4-phenylpiperazin-1-yl)-13-thiazole-4-carbonyl]-14-dioxa-8-azaspiro[4.5]decane
SMILES
O=C(c1csc(N(CC2)CCN2c2ccccc2)n1)N(CC1)CCC11OCCO1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
414.53
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.785
Distribution Coefficient, logD
2.785
Water Solubility, LogSw
-3.05
Polar Surface Area
47.857
Acid Dissociation Constant (pKa)
23.18
Base Dissociation Constant (pKb)
2.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.40
P113-0687 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Mimetics
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
References: we are preparing a list of scientific research reports with P113-0687 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)