E786-0193 Screening compound: 3-(4-chlorophenyl)-4-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of ChemDiv screening compound E786-0193
3-(4-chlorophenyl)-4-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)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
E786-0193
Molecular Formula
C22H21ClFN3O2 (C22 H21 ClFN3 O2)
Compound Name
3-(4-chlorophenyl)-4-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)cyclobut-3-ene-1,2-dione
IUPAC name
3-(4-chlorophenyl)-4-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)cyclobut-3-ene-12-dione
SMILES
O=C(C1=O)C(c(cc2)ccc2Cl)=C1NCCN(CC1)CCN1c(cccc1)c1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
413.88
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.494
Distribution Coefficient, logD
3.458
Water Solubility, LogSw
-4.12
Polar Surface Area
44.000
Acid Dissociation Constant (pKa)
11.85
Base Dissociation Constant (pKb)
6.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
E786-0193 in Drug Discovery
Included in Screening Libraries
Purinergic Library (3321 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cardiovascular
- Metabolic
- Cancer
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
References: we are preparing a list of scientific research reports with E786-0193 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)