8020-2958 Screening compound: 1-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

8020-2958 Screening compound: 1-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
8020-2958 Screening compound: 1-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2958
1-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-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

8020-2958

Molecular Formula

C22H19FN2O6 (C22 H19 FN2 O6)

Compound Name

1-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

IUPAC name

1-(3-fluorophenyl)-7-(4-hydroxy-35-dimethoxyphenyl)-5-oxo-1H4H5H6H7H-pyrrolo[32-b]pyridine-3-carboxylic acid

SMILES

COc1cc(C(C2)c(n(cc3C(O)=O)-c4cccc(F)c4)c3NC2=O)cc(OC)c1O

InChI

InChI=1S/C22H19FN2O6/c1-30-16-6-11(7-17(31-2)21(16)27)14-9-18(26)24-19-15(22(28)29)10-25(20(14)19)13-5-3-4-12(23)8-13/h3-8,10,14,27H,9H2,1-2H3,(H,24,26)(H,28,29)/t14-/m1/s1

InChI Key

JIGPXECUHWZCJH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD18069624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

-1.340

Water Solubility, LogSw

-2.82

Polar Surface Area

84.013

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8020-2958 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-2958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2958?
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What is the minimum amount of 8020-2958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2958
  • 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 8020-2958 available by request