4678-2486 Screening compound: 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

4678-2486 Screening compound: 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
4678-2486 Screening compound: 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-2486
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(pyridin-3-yl)-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

4678-2486

Molecular Formula

C25H31N3O4 (C25 H31 N3 O4)

Compound Name

1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)COc(cc1)cc(C)c1C(C(C(c1cnccc1)N(CCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C25H31N3O4/c1-16(2)15-32-19-8-9-20(17(3)13-19)23(29)21-22(18-7-6-10-26-14-18)28(12-11-27(4)5)25(31)24(21)30/h6-10,13-14,16,22,30H,11-12,15H2,1-5H3/t22-/m0/s1

InChI Key

GHKDGPYLYOVATO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03042956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-3.04

Polar Surface Area

65.959

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4678-2486 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4678-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-2486?
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What is the minimum amount of 4678-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-2486
  • 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 4678-2486 available by request