P221-1407 Screening compound: 8-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline
Chemical Structure Depiction of ChemDiv screening compound P221-1407
8-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline
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
P221-1407
Molecular Formula
C20H18N4O2S2 (C20 H18 N4 O2 S2)
Compound Name
8-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}quinoline
IUPAC name
8-{[2-(thiophen-2-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]sulfonyl}quinoline
SMILES
O=S(c1cccc2cccnc12)(N1Cc2cc(-c3cccs3)nn2CCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
410.52
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.837
Distribution Coefficient, logD
2.837
Water Solubility, LogSw
-3.21
Polar Surface Area
56.031
Acid Dissociation Constant (pKa)
26.44
Base Dissociation Constant (pKb)
-0.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
P221-1407 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiparasite Library (23996 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
KRAS-Targeted Library (16000 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Recognition Elements PPI Library (24135 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Agro
- Kinases
- Phosphatases
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Receptor's ligands
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with P221-1407 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)