8008-4388 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

8008-4388 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
8008-4388 Screening compound: methyl (4Z)-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 8008-4388
methyl (4Z)-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

8008-4388

Molecular Formula

C16H15NO5 (C16 H15 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(NC1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C16H15NO5/c1-9-13(16(20)22-3)12(14(18)17-9)8-10-4-6-11(7-5-10)15(19)21-2/h4-8H,1-3H3,(H,17,18)

InChI Key

YNIFXUKBFVUFFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00685941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.76

Polar Surface Area

67.210

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8008-4388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4388?
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What is the minimum amount of 8008-4388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4388
  • 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 8008-4388 available by request