4031-2928 Screening compound: methyl (4Z)-1-(4-fluorophenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2928 Screening compound: methyl (4Z)-1-(4-fluorophenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2928 Screening compound: methyl (4Z)-1-(4-fluorophenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2928
methyl (4Z)-1-(4-fluorophenyl)-4-[(2-hydroxyphenyl)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

4031-2928

Molecular Formula

C20H16FNO4 (C20 H16 FNO4)

Compound Name

methyl (4Z)-1-(4-fluorophenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-1-(4-fluorophenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(C1=O)c(cc2)ccc2F)=C(C(OC)=O)/C1=C/c(cccc1)c1O

InChI

InChI=1S/C20H16FNO4/c1-12-18(20(25)26-2)16(11-13-5-3-4-6-17(13)23)19(24)22(12)15-9-7-14(21)8-10-15/h3-11,23H,1-2H3

InChI Key

FDPDOEISHNYTBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.10

Polar Surface Area

53.047

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4031-2928 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4031-2928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2928?
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What is the minimum amount of 4031-2928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2928
  • 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 4031-2928 available by request