4257-1754 Screening compound: methyl (4Z)-4-[(2-hydroxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4257-1754 Screening compound: methyl (4Z)-4-[(2-hydroxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4257-1754 Screening compound: methyl (4Z)-4-[(2-hydroxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4257-1754
methyl (4Z)-4-[(2-hydroxyphenyl)methylidene]-1-(3-methoxyphenyl)-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

4257-1754

Molecular Formula

C21H19NO5 (C21 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C1=O)c2cc(OC)ccc2)=C(C(OC)=O)/C1=C/c(cccc1)c1O

InChI

InChI=1S/C21H19NO5/c1-13-19(21(25)27-3)17(11-14-7-4-5-10-18(14)23)20(24)22(13)15-8-6-9-16(12-15)26-2/h4-12,23H,1-3H3

InChI Key

TWZCJYRQDHGANS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01987903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.22

Polar Surface Area

60.591

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4257-1754 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 4257-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4257-1754?
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What is the minimum amount of 4257-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4257-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4257-1754
  • 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 4257-1754 available by request