P221-1452 Screening compound: 1-ethyl-4-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-1H-pyrazole
Chemical Structure Depiction of ChemDiv screening compound P221-1452
1-ethyl-4-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-1H-pyrazole
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
P221-1452
Molecular Formula
C16H19N5O2S2 (C16 H19 N5 O2 S2)
Compound Name
1-ethyl-4-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl}-1H-pyrazole
IUPAC name
1-ethyl-4-{[2-(thiophen-2-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]sulfonyl}-1H-pyrazole
SMILES
CCn1ncc(S(N2Cc3cc(-c4cccs4)nn3CCC2)(=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
377.49
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.568
Distribution Coefficient, logD
1.568
Water Solubility, LogSw
-2.24
Polar Surface Area
61.000
Acid Dissociation Constant (pKa)
27.05
Base Dissociation Constant (pKb)
-0.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
P221-1452 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Hsp90-Targeted Library (11355 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)
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
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Others
- Kinases
References: we are preparing a list of scientific research reports with P221-1452 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of P221-1452, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)