P218-2590 Screening compound: 5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine
Chemical Structure Depiction of ChemDiv screening compound P218-2590
5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine
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
P218-2590
Molecular Formula
C23H25N3O3S (C23 H25 N3 O3 S)
Compound Name
5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine
IUPAC name
5-(23-dihydro-1H-indene-5-sulfonyl)-2-(4-methoxyphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine
SMILES
COc(cc1)ccc1-c1nn(CCCN(C2)S(c3cc(CCC4)c4cc3)(=O)=O)c2c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
423.54
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.370
Distribution Coefficient, logD
4.370
Water Solubility, LogSw
-4.30
Polar Surface Area
53.310
Acid Dissociation Constant (pKa)
20.77
Base Dissociation Constant (pKb)
-1.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
34.80
P218-2590 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Hsp90-Targeted Library (11355 compounds)
KRAS-Targeted Library (16000 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Kinases
- Kinases
- Others
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with P218-2590 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)