V003-4721 Screening compound: 4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V003-4721
4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-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
V003-4721
Molecular Formula
C23H27FN2O5 (C23 H27 FN2 O5)
Compound Name
4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
IUPAC name
4-(25-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILES
COCCNC(C(CN(C1)C(c(cc2)ccc2F)=O)C1c(cc(cc1)OC)c1OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.48
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.381
Distribution Coefficient, logD
2.381
Water Solubility, LogSw
-2.95
Polar Surface Area
64.891
Acid Dissociation Constant (pKa)
13.33
Base Dissociation Constant (pKb)
-2.26
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
39.10
V003-4721 in Drug Discovery
Included in Screening Libraries
Macl-GPIb alpha Interaction Library (22969 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
References: we are preparing a list of scientific research reports with V003-4721 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)