P218-3409 Screening compound: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
Chemical Structure Depiction of ChemDiv screening compound P218-3409
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
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
P218-3409
Molecular Formula
C26H27N5O4 (C26 H27 N5 O4)
Compound Name
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
IUPAC name
3-[3-(2-methoxyphenyl)-124-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]propan-1-one
SMILES
COc(cc1)ccc1-c1nn(CCCN(C2)C(CCc3nc(-c(cccc4)c4OC)no3)=O)c2c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
473.53
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.746
Distribution Coefficient, logD
3.746
Water Solubility, LogSw
-3.97
Polar Surface Area
76.407
Acid Dissociation Constant (pKa)
23.21
Base Dissociation Constant (pKb)
-0.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.77
P218-3409 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with P218-3409 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)