L387-4852 Screening compound: 2-{[6-methyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound L387-4852
2-{[6-methyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
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
L387-4852
Molecular Formula
C19H18F3N5O2S2 (C19 H18 F3 N5 O2 S2)
Compound Name
2-{[6-methyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC name
2-{[6-methyl-7-oxo-2-(pyrrolidin-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SMILES
CN(C1=O)C(SCC(Nc2cc(C(F)(F)F)ccc2)=O)=Nc2c1sc(N1CCCC1)n2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
469.51
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.319
Distribution Coefficient, logD
4.319
Water Solubility, LogSw
-4.24
Polar Surface Area
63.172
Acid Dissociation Constant (pKa)
10.61
Base Dissociation Constant (pKb)
0.28
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.80
References: we are preparing a list of scientific research reports with L387-4852 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)