C464-1090 Screening compound: 4-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
Chemical Structure Depiction of ChemDiv screening compound C464-1090
4-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
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
C464-1090
Molecular Formula
C26H35N3O4S (C26 H35 N3 O4 S)
Compound Name
4-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
IUPAC name
4-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)pentanamide
SMILES
CCC(N(CC1)c(cc2)c1cc2S(NC(CC(C)C)C(NCCc1cc(C)ccc1)=O)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
485.65
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.152
Distribution Coefficient, logD
4.152
Water Solubility, LogSw
-4.11
Polar Surface Area
81.790
Acid Dissociation Constant (pKa)
10.89
Base Dissociation Constant (pKb)
-0.44
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.20
C464-1090 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Anti-infective Library (19449 compounds)
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CORONAVIRUS Library (20774 compounds)
Human Kinases Annotated Library (2415 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Anti-HIV1 Library (19540 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with C464-1090 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)