4424-0085 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0085 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0085 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0085
4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-3-yl)methyl]-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

4424-0085

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-[(pyridin-3-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(cc1)c(C)cc1C(C(C(c1ccc(C(C)C)cc1)N(Cc1cnccc1)C1=O)=C1O)=O

InChI

InChI=1S/C29H30N2O4/c1-5-35-24-13-12-23(15-19(24)4)27(32)25-26(22-10-8-21(9-11-22)18(2)3)31(29(34)28(25)33)17-20-7-6-14-30-16-20/h6-16,18,26,33H,5,17H2,1-4H3/t26-/m0/s1

InChI Key

VOTXOORHPXFQSK-SANMLTNESA-N

MDL Number (MFCD)

MFCD03226122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.28

Polar Surface Area

61.555

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

4424-0085 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 4424-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0085?
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What is the minimum amount of 4424-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0085
  • 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 4424-0085 available by request