4341-0054 Screening compound: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4341-0054 Screening compound: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4341-0054 Screening compound: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-0054
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-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

4341-0054

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)c1ccc(C(C(C(c(cc2)ccc2OC)=O)=C2O)N(CCCn3cncc3)C2=O)cc1

InChI

InChI=1S/C27H29N3O4/c1-18(2)19-5-7-20(8-6-19)24-23(25(31)21-9-11-22(34-3)12-10-21)26(32)27(33)30(24)15-4-14-29-16-13-28-17-29/h5-13,16-18,24,32H,4,14-15H2,1-3H3/t24-/m0/s1

InChI Key

AMDXDQBDSHCQKE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03043696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.84

Polar Surface Area

65.150

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

4341-0054 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4341-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-0054?
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What is the minimum amount of 4341-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-0054
  • 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 4341-0054 available by request