4393-0115 Screening compound: 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

4393-0115 Screening compound: 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4393-0115 Screening compound: 4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0115
4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic 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

4393-0115

Molecular Formula

C24H25NO7 (C24 H25 NO7)

Compound Name

4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

IUPAC name

4-[2-(34-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]butanoic acid

SMILES

Cc(cc1)ccc1C(C(C(c(cc1)cc(OC)c1OC)N(CCCC(O)=O)C1=O)=C1O)=O

InChI

InChI=1S/C24H25NO7/c1-14-6-8-15(9-7-14)22(28)20-21(16-10-11-17(31-2)18(13-16)32-3)25(24(30)23(20)29)12-4-5-19(26)27/h6-11,13,21,29H,4-5,12H2,1-3H3,(H,26,27)/t21-/m0/s1

InChI Key

FHDRCYFKMJRUTN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02108005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

-0.861

Water Solubility, LogSw

-2.48

Polar Surface Area

88.721

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4393-0115 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 4393-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0115?
Check Price and Availability of 4393-0115, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4393-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0115
  • 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 4393-0115 available by request