V025-1628 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-cyclohexylformamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V025-1628
ethyl 4-{2-[1-(4-chlorophenyl)-N-cyclohexylformamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
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
V025-1628
Molecular Formula
C25H31ClN2O4 (C25 H31 ClN2 O4)
Compound Name
ethyl 4-{2-[1-(4-chlorophenyl)-N-cyclohexylformamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
IUPAC name
ethyl 4-{2-[1-(4-chlorophenyl)-N-cyclohexylformamido]acetyl}-135-trimethyl-1H-pyrrole-2-carboxylate
SMILES
CCOC(c1c(C)c(C(CN(C2CCCCC2)C(c(cc2)ccc2Cl)=O)=O)c(C)n1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
458.98
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.811
Distribution Coefficient, logD
4.811
Water Solubility, LogSw
-5.03
Polar Surface Area
51.232
Acid Dissociation Constant (pKa)
20.42
Base Dissociation Constant (pKb)
-2.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
48.00
V025-1628 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with V025-1628 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)