E786-0180 Screening compound: 3-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of ChemDiv screening compound E786-0180
3-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
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
E786-0180
Molecular Formula
C19H21ClN2O2 (C19 H21 ClN2 O2)
Compound Name
3-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
IUPAC name
3-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-1-yl)cyclobut-3-ene-12-dione
SMILES
O=C(C1=O)C(c(cc2)ccc2Cl)=C1N(CC1)CCN1C1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.84
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.674
Distribution Coefficient, logD
3.545
Water Solubility, LogSw
-4.20
Polar Surface Area
33.613
Acid Dissociation Constant (pKa)
27.96
Base Dissociation Constant (pKb)
6.94
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.40
E786-0180 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Purinergic Library (3321 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cardiovascular
- Metabolic
- Cancer
- GPCR
- GPCR
- Ion Channels
- Receptor's ligands
- Receptor's ligands
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with E786-0180 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)