4693-1139 Screening compound: methyl (5Z)-5-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4693-1139 Screening compound: methyl (5Z)-5-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4693-1139 Screening compound: methyl (5Z)-5-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4693-1139
methyl (5Z)-5-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-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

4693-1139

Molecular Formula

C28H27FN2O3 (C28 H27 FN2 O3)

Compound Name

methyl (5Z)-5-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

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

SMILES

Cc1cc(/C=C(/C(C(C(OC)=O)=C2C)=O)\N2c(cc2)ccc2F)c(C)n1-c1c(C)cc(C)cc1

InChI

InChI=1S/C28H27FN2O3/c1-16-7-12-24(17(2)13-16)30-18(3)14-21(19(30)4)15-25-27(32)26(28(33)34-6)20(5)31(25)23-10-8-22(29)9-11-23/h7-15H,1-6H3

InChI Key

UWQVEGJSJZKEHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.53

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

5.689

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.46

Polar Surface Area

37.775

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4693-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4693-1139?
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What is the minimum amount of 4693-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4693-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4693-1139
  • 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 4693-1139 available by request