4622-8478 Screening compound: 3-hydroxy-1-(2-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one

4622-8478 Screening compound: 3-hydroxy-1-(2-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one
4622-8478 Screening compound: 3-hydroxy-1-(2-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4622-8478
3-hydroxy-1-(2-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-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

4622-8478

Molecular Formula

C22H23NO5 (C22 H23 NO5)

Compound Name

3-hydroxy-1-(2-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-1-(2-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(CN(C(C(C(c1ccc(C)cc1)=O)=C1O)c(cc2)ccc2OC)C1=O)O

InChI

InChI=1S/C22H23NO5/c1-13-4-6-16(7-5-13)20(25)18-19(15-8-10-17(28-3)11-9-15)23(12-14(2)24)22(27)21(18)26/h4-11,14,19,24,26H,12H2,1-3H3

InChI Key

SLKRNTRKAPWJQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03044352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.701

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-2.90

Polar Surface Area

69.120

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-6.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

4622-8478 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 4622-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4622-8478?
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What is the minimum amount of 4622-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4622-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4622-8478
  • 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 4622-8478 available by request