4031-2877 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2877 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2877 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2877
methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-phenyl-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

4031-2877

Molecular Formula

C22H19NO5 (C22 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C1=O)c2ccccc2)=C(C(OC)=O)/C1=C/c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C22H19NO5/c1-14-19(22(26)28-3)18(20(24)23(14)17-7-5-4-6-8-17)13-15-9-11-16(12-10-15)21(25)27-2/h4-13H,1-3H3

InChI Key

NHMDFFDDLCMUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.51

Polar Surface Area

57.673

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 4031-2877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2877?
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What is the minimum amount of 4031-2877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2877
  • 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 4031-2877 available by request