5072-3390 Screening compound: ethyl (5E)-5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5072-3390 Screening compound: ethyl (5E)-5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5072-3390 Screening compound: ethyl (5E)-5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5072-3390
ethyl (5E)-5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-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

5072-3390

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

ethyl (5E)-5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (5E)-5-{[1-(2-methoxy-5-methylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(C1=O)=C(C)N/C1=C/c(cc1C)c(C)n1-c(cc(C)cc1)c1OC)=O

InChI

InChI=1S/C23H26N2O4/c1-7-29-23(27)21-15(4)24-18(22(21)26)12-17-11-14(3)25(16(17)5)19-10-13(2)8-9-20(19)28-6/h8-12,24H,7H2,1-6H3

InChI Key

MRKAISXYINGDGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.04

Polar Surface Area

55.059

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 5072-3390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5072-3390?
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What is the minimum amount of 5072-3390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5072-3390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5072-3390
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5072-3390 available by request