G396-0158 Screening compound: 4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound G396-0158
4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-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
G396-0158
Molecular Formula
C28H37N3O2 (C28 H37 N3 O2)
Compound Name
4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
IUPAC name
4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-25-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
SMILES
CCN(CCCNCc1c(C)n(Cc2cc(C)ccc2)c(C)c1C(O)=O)Cc1ccccc1
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
12.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.445
Distribution Coefficient, logD
4.445
Water Solubility, LogSw
-4.21
Polar Surface Area
45.638
Acid Dissociation Constant (pKa)
6.39
Base Dissociation Constant (pKb)
12.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
39.30
G396-0158 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with G396-0158 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of G396-0158, 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)