5618-3331 Screening compound: methyl (4Z)-1-(3-chloro-4-methoxyphenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5618-3331 Screening compound: methyl (4Z)-1-(3-chloro-4-methoxyphenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5618-3331 Screening compound: methyl (4Z)-1-(3-chloro-4-methoxyphenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-3331
methyl (4Z)-1-(3-chloro-4-methoxyphenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-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

5618-3331

Molecular Formula

C23H20ClNO6 (C23 H20 ClNO6)

Compound Name

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

IUPAC name

methyl (4Z)-1-(3-chloro-4-methoxyphenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(C1=O)c(cc2)cc(Cl)c2OC)=C(C(OC)=O)/C1=C/c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C23H20ClNO6/c1-13-20(23(28)31-4)17(11-14-5-7-15(8-6-14)22(27)30-3)21(26)25(13)16-9-10-19(29-2)18(24)12-16/h5-12H,1-4H3

InChI Key

URRGNTSZOLHAEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03259752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.54

Polar Surface Area

65.303

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 5618-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-3331?
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What is the minimum amount of 5618-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-3331
  • 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 5618-3331 available by request