D399-3444 Screening compound: N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D399-3444
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
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
D399-3444
Molecular Formula
C19H21FN2O3 (C19 H21 FN2 O3)
Compound Name
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
IUPAC name
N-(34-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILES
COc(ccc(NC(N(CCC1)C1c(cccc1)c1F)=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.39
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.140
Distribution Coefficient, logD
3.140
Water Solubility, LogSw
-3.34
Polar Surface Area
40.757
Acid Dissociation Constant (pKa)
13.57
Base Dissociation Constant (pKb)
0.32
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.60
D399-3444 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with D399-3444 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of D399-3444, 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)