4393-0291 Screening compound: 3-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

4393-0291 Screening compound: 3-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
4393-0291 Screening compound: 3-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0291
3-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-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

4393-0291

Molecular Formula

C20H16N2O7 (C20 H16 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(C(C(C(c2ccccc2)=O)=C2O)N(CCC(O)=O)C2=O)ccc1)=O

InChI

InChI=1S/C20H16N2O7/c23-15(24)9-10-21-17(13-7-4-8-14(11-13)22(28)29)16(19(26)20(21)27)18(25)12-5-2-1-3-6-12/h1-8,11,17,26H,9-10H2,(H,23,24)/t17-/m1/s1

InChI Key

XUXJUHUVLJAMKH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00827971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.451

Distribution Coefficient, logD

-1.245

Water Solubility, LogSw

-2.21

Polar Surface Area

106.842

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4393-0291 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4393-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0291?
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What is the minimum amount of 4393-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0291
  • 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 4393-0291 available by request