D473-2062 Screening compound: 3-[3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-5-isopropyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Chemical Structure Depiction of ChemDiv screening compound D473-2062
3-[3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-5-isopropyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
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
D473-2062
Molecular Formula
C19H23N3O3S (C19 H23 N3 O3 S)
Compound Name
3-[3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-5-isopropyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
IUPAC name
3-[3-(23-dihydro-1H-indole-1-carbonyl)-5-(propan-2-yl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione
SMILES
CC(C)c1cc(C(N(CC2)c3c2cccc3)=O)nn1C(CC1)CS1(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
373.48
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
2.010
Distribution Coefficient, logD
2.010
Water Solubility, LogSw
-2.50
Polar Surface Area
57.282
Acid Dissociation Constant (pKa)
19.22
Base Dissociation Constant (pKb)
0.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.40
D473-2062 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Targeted Diversity Library (40567 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Agro
- GPCR
- Kinases
- Nuclear receptors
- Receptor's ligands
- Receptor's ligands
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with D473-2062 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)