6060-0029 Screening compound: 3-(5-phenyl-1-propyl-1H-pyrrol-2-yl)propanoic acid
Chemical Structure Depiction of ChemDiv screening compound 6060-0029
3-(5-phenyl-1-propyl-1H-pyrrol-2-yl)propanoic 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
6060-0029
Molecular Formula
C16H19NO2 (C16 H19 NO2)
Compound Name
3-(5-phenyl-1-propyl-1H-pyrrol-2-yl)propanoic acid
IUPAC name
3-(5-phenyl-1-propyl-1H-pyrrol-2-yl)propanoic acid
SMILES
CCCn1c(-c2ccccc2)ccc1CCC(O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
257.33
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.659
Distribution Coefficient, logD
0.845
Water Solubility, LogSw
-3.72
Polar Surface Area
29.286
Acid Dissociation Constant (pKa)
4.59
Base Dissociation Constant (pKb)
-0.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.30
6060-0029 in Drug Discovery
Included in Screening Libraries
Dark Chemical Matter Library (18430 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Pool
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Nuclear receptors
- Receptor's ligands
References: we are preparing a list of scientific research reports with 6060-0029 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 6060-0029, 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)