4693-1117 Screening compound: methyl (5E)-5-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4693-1117 Screening compound: methyl (5E)-5-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4693-1117 Screening compound: methyl (5E)-5-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4693-1117
methyl (5E)-5-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(4-methylphenyl)-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

4693-1117

Molecular Formula

C27H24Cl2N2O3 (C27 H24 Cl2 N2 O3)

Compound Name

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

IUPAC name

methyl (5E)-5-{[1-(24-dichlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(4-methylphenyl)-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

Cc1cc(/C=C(\C(C(C(OC)=O)=C2C)=O)/N2c2ccc(C)cc2)c(C)n1-c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C27H24Cl2N2O3/c1-15-6-9-21(10-7-15)31-18(4)25(27(33)34-5)26(32)24(31)13-19-12-16(2)30(17(19)3)23-11-8-20(28)14-22(23)29/h6-14H,1-5H3

InChI Key

MBMXCNUFDBDMPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.143

Distribution Coefficient, logD

6.126

Water Solubility, LogSw

-6.20

Polar Surface Area

37.775

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4693-1117 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.
Delivery options for 4693-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4693-1117
  • 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 4693-1117 available by request