P221-0798 Screening compound: N-[(oxolan-2-yl)methyl]-2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound P221-0798
N-[(oxolan-2-yl)methyl]-2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-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
P221-0798
Molecular Formula
C18H23N5O2 (C18 H23 N5 O2)
Compound Name
N-[(oxolan-2-yl)methyl]-2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxamide
IUPAC name
N-[(oxolan-2-yl)methyl]-2-(pyridin-4-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carboxamide
SMILES
O=C(NCC1OCCC1)N1Cc2cc(-c3ccncc3)nn2CCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
341.41
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.752
Distribution Coefficient, logD
0.751
Water Solubility, LogSw
-1.33
Polar Surface Area
58.643
Acid Dissociation Constant (pKa)
15.91
Base Dissociation Constant (pKb)
4.72
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
P221-0798 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
Angiogenesis library (14822 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Hsp90-Targeted Library (11355 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Soluble Diversity Library (15920 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Cancer
- Antiviral
- Infections
- Immune system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Kinases
References: we are preparing a list of scientific research reports with P221-0798 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)