D278-1229 Screening compound: methyl 5-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound D278-1229
methyl 5-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]furan-2-carboxylate
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
D278-1229
Molecular Formula
C18H15N3O3S (C18 H15 N3 O3 S)
Compound Name
methyl 5-[({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)methyl]furan-2-carboxylate
IUPAC name
methyl 5-[({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)methyl]furan-2-carboxylate
SMILES
Cc(c(cccc1)c1n12)cc2nnc1SCc1ccc(C(OC)=O)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
353.4
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.024
Distribution Coefficient, logD
4.024
Water Solubility, LogSw
-4.16
Polar Surface Area
50.097
Acid Dissociation Constant (pKa)
28.18
Base Dissociation Constant (pKb)
2.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
D278-1229 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Included in 1.7M Stock Database
- Immune system
References: we are preparing a list of scientific research reports with D278-1229 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)