C800-0876 Screening compound: ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}propanoate
Chemical Structure Depiction of ChemDiv screening compound C800-0876
ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}propanoate
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
C800-0876
Molecular Formula
C18H22ClN3O3 (C18 H22 ClN3 O3)
Compound Name
ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}propanoate
IUPAC name
ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}propanoate
SMILES
CCOC(CCNC(NCc1cccn1Cc(cc1)ccc1Cl)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
363.84
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.527
Distribution Coefficient, logD
2.527
Water Solubility, LogSw
-3.37
Polar Surface Area
57.528
Acid Dissociation Constant (pKa)
14.16
Base Dissociation Constant (pKb)
-1.68
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
References: we are preparing a list of scientific research reports with C800-0876 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)