8020-7415 Screening compound: 5-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one

8020-7415 Screening compound: 5-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one
8020-7415 Screening compound: 5-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7415
5-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-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

8020-7415

Molecular Formula

C25H25NO8 (C25 H25 NO8)

Compound Name

5-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

5-(2H-13-benzodioxol-5-yl)-4-(34-dimethoxybenzoyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

COc(ccc(C(C(C(c(cc1)cc2c1OCO2)N(CC1OCCC1)C1=O)=C1O)=O)c1)c1OC

InChI

InChI=1S/C25H25NO8/c1-30-17-7-6-15(11-19(17)31-2)23(27)21-22(14-5-8-18-20(10-14)34-13-33-18)26(25(29)24(21)28)12-16-4-3-9-32-16/h5-8,10-11,16,22,28H,3-4,9,12-13H2,1-2H3

InChI Key

MBVYQVLSNZXCBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-2.73

Polar Surface Area

85.857

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

8020-7415 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8020-7415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7415?
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What is the minimum amount of 8020-7415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7415
  • 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 8020-7415 available by request