8020-7279 Screening compound: 4-(1,3-benzodioxol-5-ylcarbonyl)-5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one

8020-7279 Screening compound: 4-(1,3-benzodioxol-5-ylcarbonyl)-5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
8020-7279 Screening compound: 4-(1,3-benzodioxol-5-ylcarbonyl)-5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7279
4-(1,3-benzodioxol-5-ylcarbonyl)-5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-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

8020-7279

Molecular Formula

C27H28N2O9 (C27 H28 N2 O9)

Compound Name

4-(1,3-benzodioxol-5-ylcarbonyl)-5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-(2H-13-benzodioxole-5-carbonyl)-5-(47-dimethoxy-2H-13-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-25-dihydro-1H-pyrrol-2-one

SMILES

COc(c1c2OCO1)cc(C(C(C(c(cc1)cc3c1OCO3)=O)=C1O)N(CCN3CCCC3)C1=O)c2OC

InChI

InChI=1S/C27H28N2O9/c1-33-19-12-16(24(34-2)26-25(19)37-14-38-26)21-20(22(30)15-5-6-17-18(11-15)36-13-35-17)23(31)27(32)29(21)10-9-28-7-3-4-8-28/h5-6,11-12,21,31H,3-4,7-10,13-14H2,1-2H3/t21-/m0/s1

InChI Key

TZBDNLABQJHSLT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD26098855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

1.151

Water Solubility, LogSw

-3.01

Polar Surface Area

98.101

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

References: we are preparing a list of scientific research reports with 8020-7279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7279?
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What is the minimum amount of 8020-7279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7279
  • 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 8020-7279 available by request