4622-8441 Screening compound: 3-hydroxy-1-isobutyl-4-(4-methylbenzoyl)-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one

4622-8441 Screening compound: 3-hydroxy-1-isobutyl-4-(4-methylbenzoyl)-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one
4622-8441 Screening compound: 3-hydroxy-1-isobutyl-4-(4-methylbenzoyl)-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4622-8441
3-hydroxy-1-isobutyl-4-(4-methylbenzoyl)-5-(3-pyridyl)-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

4622-8441

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

3-hydroxy-1-isobutyl-4-(4-methylbenzoyl)-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

3-hydroxy-4-(4-methylbenzoyl)-1-(2-methylpropyl)-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)CN(C(C(C(c1ccc(C)cc1)=O)=C1O)c2cnccc2)C1=O

InChI

InChI=1S/C21H22N2O3/c1-13(2)12-23-18(16-5-4-10-22-11-16)17(20(25)21(23)26)19(24)15-8-6-14(3)7-9-15/h4-11,13,18,25H,12H2,1-3H3/t18-/m0/s1

InChI Key

SSDLHAWEYWRYBI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03043411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-2.90

Polar Surface Area

54.616

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

4622-8441 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4622-8441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4622-8441?
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What is the minimum amount of 4622-8441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4622-8441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4622-8441
  • 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 4622-8441 available by request