F813-4342 Screening compound: methyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of ChemDiv screening compound F813-4342
methyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
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
F813-4342
Molecular Formula
C21H23N5O3S2 (C21 H23 N5 O3 S2)
Compound Name
methyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
IUPAC name
methyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
SMILES
CC(CCC1)CN1c1nc2ncnc(SCC(Nc(cccc3)c3C(OC)=O)=O)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
457.58
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.075
Distribution Coefficient, logD
4.060
Water Solubility, LogSw
-4.20
Polar Surface Area
77.781
Acid Dissociation Constant (pKa)
8.84
Base Dissociation Constant (pKb)
1.90
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.10
F813-4342 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with F813-4342 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)