L757-0090 Screening compound: 1-{3-[4-(piperidin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoyl}piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound L757-0090
1-{3-[4-(piperidin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoyl}piperidine-4-carboxamide
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
L757-0090
Molecular Formula
C23H29N7O2 (C23 H29 N7 O2)
Compound Name
1-{3-[4-(piperidin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoyl}piperidine-4-carboxamide
IUPAC name
1-{3-[4-(piperidin-1-yl)-[124]triazolo[43-a]quinoxalin-1-yl]propanoyl}piperidine-4-carboxamide
SMILES
NC(C(CC1)CCN1C(CCc1nnc2n1c(cccc1)c1nc2N1CCCCC1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
435.53
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.335
Distribution Coefficient, logD
1.330
Water Solubility, LogSw
-1.69
Polar Surface Area
84.462
Acid Dissociation Constant (pKa)
14.92
Base Dissociation Constant (pKb)
5.49
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.20
L757-0090 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
SmartTM Library (51161 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with L757-0090 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)