4622-8488 Screening compound: 3-hydroxy-5-(4-hydroxyphenyl)-1-(2-hydroxypropyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one

4622-8488 Screening compound: 3-hydroxy-5-(4-hydroxyphenyl)-1-(2-hydroxypropyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one
4622-8488 Screening compound: 3-hydroxy-5-(4-hydroxyphenyl)-1-(2-hydroxypropyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4622-8488
3-hydroxy-5-(4-hydroxyphenyl)-1-(2-hydroxypropyl)-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

4622-8488

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(C(C(C(c1ccc(C)cc1)=O)=C1O)c(cc2)ccc2O)C1=O)O

InChI

InChI=1S/C21H21NO5/c1-12-3-5-15(6-4-12)19(25)17-18(14-7-9-16(24)10-8-14)22(11-13(2)23)21(27)20(17)26/h3-10,13,18,23-24,26H,11H2,1-2H3

InChI Key

JBKNSHLWIVHMJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03044358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.60

Polar Surface Area

79.193

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-6.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

4622-8488 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4622-8488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4622-8488?
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What is the minimum amount of 4622-8488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4622-8488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4622-8488
  • 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 4622-8488 available by request