8020-2968 Screening compound: 7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

8020-2968 Screening compound: 7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
8020-2968 Screening compound: 7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2968
7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

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

8020-2968

Molecular Formula

C24H22N2O8 (C24 H22 N2 O8)

Compound Name

7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

IUPAC name

7-(67-dimethoxy-2H-13-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-1H4H5H6H7H-pyrrolo[32-b]pyridine-3-carboxylic acid

SMILES

COc1cccc(-n(cc2C(O)=O)c(C(C3)c(cc4OCOc4c4OC)c4OC)c2NC3=O)c1

InChI

InChI=1S/C24H22N2O8/c1-30-13-6-4-5-12(7-13)26-10-16(24(28)29)19-20(26)14(9-18(27)25-19)15-8-17-22(34-11-33-17)23(32-3)21(15)31-2/h4-8,10,14H,9,11H2,1-3H3,(H,25,27)(H,28,29)/t14-/m0/s1

InChI Key

YUDZTPBUHXBWEM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD25975192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

-0.516

Water Solubility, LogSw

-3.44

Polar Surface Area

93.051

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8020-2968 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2968?
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What is the minimum amount of 8020-2968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2968
  • 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 8020-2968 available by request