C753-0949 Screening compound: 3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound C753-0949
3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
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
C753-0949
Molecular Formula
C28H37N3O2 (C28 H37 N3 O2)
Compound Name
3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
IUPAC name
3-({[3-(35-dimethylpiperidin-1-yl)propyl]amino}methyl)-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
SMILES
CC1CN(CCCNCc2c(C(O)=O)n(Cc3c(C)cccc3)c3c2cccc3)CC(C)C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
447.62
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.931
Distribution Coefficient, logD
4.931
Water Solubility, LogSw
-4.37
Polar Surface Area
44.333
Acid Dissociation Constant (pKa)
4.47
Base Dissociation Constant (pKb)
10.65
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
46.40
C753-0949 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with C753-0949 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)