4393-0285 Screening compound: 3-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

4393-0285 Screening compound: 3-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
4393-0285 Screening compound: 3-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0285
3-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

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

4393-0285

Molecular Formula

C21H19NO6 (C21 H19 NO6)

Compound Name

3-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

IUPAC name

3-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]propanoic acid

SMILES

COc1cccc(C(C(C(c2ccccc2)=O)=C2O)N(CCC(O)=O)C2=O)c1

InChI

InChI=1S/C21H19NO6/c1-28-15-9-5-8-14(12-15)18-17(19(25)13-6-3-2-4-7-13)20(26)21(27)22(18)11-10-16(23)24/h2-9,12,18,26H,10-11H2,1H3,(H,23,24)/t18-/m0/s1

InChI Key

ISWHGBDBPSTDJB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02231011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.598

Distribution Coefficient, logD

-1.097

Water Solubility, LogSw

-2.23

Polar Surface Area

81.004

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4393-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0285?
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What is the minimum amount of 4393-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0285
  • 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 4393-0285 available by request