8010-4568 Screening compound: N-{2-[3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide

8010-4568 Screening compound: N-{2-[3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide
8010-4568 Screening compound: N-{2-[3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4568
N-{2-[3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide

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

8010-4568

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

N-{2-[3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide

IUPAC name

N-{2-[3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]ethyl}acetamide

SMILES

CC(NCCN(C(C(C(c1ccccc1)=O)=C1O)c(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C22H22N2O5/c1-14(25)23-12-13-24-19(15-8-10-17(29-2)11-9-15)18(21(27)22(24)28)20(26)16-6-4-3-5-7-16/h3-11,19,27H,12-13H2,1-2H3,(H,23,25)/t19-/m0/s1

InChI Key

TYLTWFDBNDVDPG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02110416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-2.11

Polar Surface Area

77.046

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 8010-4568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4568?
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What is the minimum amount of 8010-4568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4568
  • 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 8010-4568 available by request