2082-0537 Screening compound: (5E)-5-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of ChemDiv screening compound 2082-0537
(5E)-5-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-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
2082-0537
Molecular Formula
C14H7Br2N3O4S (C14 H7 Br2 N3 O4 S)
Compound Name
(5E)-5-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
IUPAC name
(5E)-5-{[5-(26-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
SMILES
[O-][N+](c1cc(Br)c(-c2ccc(/C=C(\C(N3)=O)/NC3=S)o2)c(Br)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
473.1
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.581
Distribution Coefficient, logD
4.558
Water Solubility, LogSw
-4.69
Polar Surface Area
77.245
Acid Dissociation Constant (pKa)
8.67
Base Dissociation Constant (pKb)
0.85
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
2082-0537 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with 2082-0537 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)