3970-1671 Screening compound: (3E)-1-(4-bromo-2-methylphenyl)-3-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one
Chemical Structure Depiction of ChemDiv screening compound 3970-1671
(3E)-1-(4-bromo-2-methylphenyl)-3-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one
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
3970-1671
Molecular Formula
C28H18BrCl2NO2 (C28 H18 BrCl2 NO2)
Compound Name
(3E)-1-(4-bromo-2-methylphenyl)-3-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one
IUPAC name
(3E)-1-(4-bromo-2-methylphenyl)-3-{[5-(34-dichlorophenyl)furan-2-yl]methylidene}-5-phenyl-23-dihydro-1H-pyrrol-2-one
SMILES
Cc(cc(cc1)Br)c1N(C(c1ccccc1)=C/C1=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
551.27
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
9.101
Distribution Coefficient, logD
9.101
Water Solubility, LogSw
-6.50
Polar Surface Area
22.316
Acid Dissociation Constant (pKa)
28.41
Base Dissociation Constant (pKb)
-3.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
3.60
3970-1671 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 3970-1671 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)