8020-7398 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one

8020-7398 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
8020-7398 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7398
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-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

8020-7398

Molecular Formula

C28H27N3O9 (C28 H27 N3 O9)

Compound Name

4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-(23-dihydro-14-benzodioxine-6-carbonyl)-5-(67-dimethoxy-2H-13-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-25-dihydro-1H-pyrrol-2-one

SMILES

COc1c2OCOc2cc(C(C(C(c(cc2)cc3c2OCCO3)=O)=C2O)N(CCCn3cncc3)C2=O)c1OC

InChI

InChI=1S/C28H27N3O9/c1-35-25-17(13-20-26(27(25)36-2)40-15-39-20)22-21(23(32)16-4-5-18-19(12-16)38-11-10-37-18)24(33)28(34)31(22)8-3-7-30-9-6-29-14-30/h4-6,9,12-14,22,33H,3,7-8,10-11,15H2,1-2H3/t22-/m0/s1

InChI Key

NEDNVSZUOIBOLL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30711203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.382

Distribution Coefficient, logD

1.139

Water Solubility, LogSw

-2.00

Polar Surface Area

105.663

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.14

References: we are preparing a list of scientific research reports with 8020-7398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7398?
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What is the minimum amount of 8020-7398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7398
  • 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 8020-7398 available by request