6247-0582 Screening compound: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one

6247-0582 Screening compound: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one
6247-0582 Screening compound: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6247-0582
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-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

6247-0582

Molecular Formula

C24H20N4O4 (C24 H20 N4 O4)

Compound Name

4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3-pyridyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-(1-benzofuran-2-carbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(CCCn1cncc1)C1c2cnccc2)=O)=C1C(c1cc(cccc2)c2o1)=O

InChI

InChI=1S/C24H20N4O4/c29-22(19-13-16-5-1-2-7-18(16)32-19)20-21(17-6-3-8-25-14-17)28(24(31)23(20)30)11-4-10-27-12-9-26-15-27/h1-3,5-9,12-15,21,30H,4,10-11H2

InChI Key

CEQNTDUYECRXCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.167

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.51

Polar Surface Area

75.416

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

6247-0582 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6247-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6247-0582?
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What is the minimum amount of 6247-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6247-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6247-0582
  • 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 6247-0582 available by request