5283-0184 Screening compound: methyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5283-0184 Screening compound: methyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5283-0184 Screening compound: methyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5283-0184
methyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-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

5283-0184

Molecular Formula

C23H23NO3S (C23 H23 NO3 S)

Compound Name

methyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-1-(34-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(C1=O)c2cc(C)c(C)cc2)=C(C(OC)=O)/C1=C/c(cc1)ccc1SC

InChI

InChI=1S/C23H23NO3S/c1-14-6-9-18(12-15(14)2)24-16(3)21(23(26)27-4)20(22(24)25)13-17-7-10-19(28-5)11-8-17/h6-13H,1-5H3

InChI Key

QOFPAQMHMSSQMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03068179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-5.18

Polar Surface Area

36.499

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 5283-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5283-0184?
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What is the minimum amount of 5283-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5283-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5283-0184
  • 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 5283-0184 available by request