2000-0277 Screening compound: (5Z)-5-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of ChemDiv screening compound 2000-0277
(5Z)-5-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-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
2000-0277
Molecular Formula
C14H6Br2N2O4S2 (C14 H6 Br2 N2 O4 S2)
Compound Name
(5Z)-5-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC name
(5Z)-5-{[5-(26-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one
SMILES
[O-][N+](c1cc(Br)c(-c2ccc(/C=C(/C(N3)=O)\SC3=S)o2)c(Br)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
490.15
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.533
Distribution Coefficient, logD
3.142
Water Solubility, LogSw
-4.60
Polar Surface Area
65.851
Acid Dissociation Constant (pKa)
6.03
Base Dissociation Constant (pKb)
-0.70
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
2000-0277 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 2000-0277 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)