8020-3429 Screening compound: 1-(4-fluorophenyl)-7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

8020-3429 Screening compound: 1-(4-fluorophenyl)-7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
8020-3429 Screening compound: 1-(4-fluorophenyl)-7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3429
1-(4-fluorophenyl)-7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-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

8020-3429

Molecular Formula

C22H17FN2O6 (C22 H17 FN2 O6)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-7-(7-methoxy-2H-13-benzodioxol-5-yl)-5-oxo-1H4H5H6H7H-pyrrolo[32-b]pyridine-3-carboxylic acid

SMILES

COc1c2OCOc2cc(C(C2)c(n(cc3C(O)=O)-c(cc4)ccc4F)c3NC2=O)c1

InChI

InChI=1S/C22H17FN2O6/c1-29-16-6-11(7-17-21(16)31-10-30-17)14-8-18(26)24-19-15(22(27)28)9-25(20(14)19)13-4-2-12(23)3-5-13/h2-7,9,14H,8,10H2,1H3,(H,24,26)(H,27,28)/t14-/m1/s1

InChI Key

WDFCQCIIPOCXOV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD25975309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

-0.510

Water Solubility, LogSw

-3.42

Polar Surface Area

77.703

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8020-3429 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 8020-3429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3429?
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What is the minimum amount of 8020-3429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3429
  • 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 8020-3429 available by request