8018-0588 Screening compound: 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(2-ethylhexyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

8018-0588 Screening compound: 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(2-ethylhexyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
8018-0588 Screening compound: 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(2-ethylhexyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0588
4-acetyl-5-(2,4-dimethoxyphenyl)-1-(2-ethylhexyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

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

8018-0588

Molecular Formula

C22H31NO5 (C22 H31 NO5)

Compound Name

4-acetyl-5-(2,4-dimethoxyphenyl)-1-(2-ethylhexyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-acetyl-5-(24-dimethoxyphenyl)-1-(2-ethylhexyl)-3-hydroxy-25-dihydro-1H-pyrrol-2-one

SMILES

CCCCC(CC)CN(C(C(C(C)=O)=C1O)c(ccc(OC)c2)c2OC)C1=O

InChI

InChI=1S/C22H31NO5/c1-6-8-9-15(7-2)13-23-20(19(14(3)24)21(25)22(23)26)17-11-10-16(27-4)12-18(17)28-5/h10-12,15,20,25H,6-9,13H2,1-5H3

InChI Key

QBJKGTWUOZKBMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.31

Polar Surface Area

60.632

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with 8018-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0588?
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What is the minimum amount of 8018-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0588
  • 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 8018-0588 available by request