P939-3249 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
Chemical Structure Depiction of ChemDiv screening compound P939-3249
1-(5-bromofuran-2-carbonyl)-4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
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
P939-3249
Molecular Formula
C15H17BrN4O2 (C15 H17 BrN4 O2)
Compound Name
1-(5-bromofuran-2-carbonyl)-4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
IUPAC name
1-(5-bromofuran-2-carbonyl)-4-(3-cyclopropyl-4H-124-triazol-4-yl)piperidine
SMILES
O=C(c(o1)ccc1Br)N(CC1)CCC1n1c(C2CC2)nnc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
365.23
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.217
Distribution Coefficient, logD
2.200
Water Solubility, LogSw
-2.18
Polar Surface Area
50.521
Acid Dissociation Constant (pKa)
20.05
Base Dissociation Constant (pKb)
5.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
53.30
P939-3249 in Drug Discovery
Included in Screening Libraries
Bromodomain Modulators Library (5801 compounds)
CNS BBB Library (22607 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
New Agro Library (44492 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Nervous system
- Cardiovascular
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Ion Channels
- Agro
References: we are preparing a list of scientific research reports with P939-3249 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)