8020-1790 Screening compound: 5-(bromomethyl)-1,3-thiazolidin-2-one
Chemical Structure Depiction of ChemDiv screening compound 8020-1790
5-(bromomethyl)-1,3-thiazolidin-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
8020-1790
Molecular Formula
C4H6BrNOS (C4 H6 BrNOS)
Compound Name
5-(bromomethyl)-1,3-thiazolidin-2-one
IUPAC name
5-(bromomethyl)-13-thiazolidin-2-one
SMILES
O=C1SC(CBr)CN1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
196.07
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
1.199
Distribution Coefficient, logD
1.199
Water Solubility, LogSw
-1.77
Polar Surface Area
24.712
Acid Dissociation Constant (pKa)
14.73
Base Dissociation Constant (pKb)
-5.09
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
75.00
8020-1790 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Crystallographic and 19F NMR fragment-libraries (624 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 8020-1790 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)