8020-3445 Screening compound: 7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

8020-3445 Screening compound: 7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
8020-3445 Screening compound: 7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3445
7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-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

8020-3445

Molecular Formula

C23H17F3N2O6 (C23 H17 F3 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1c2OCOc2cc(C(C2)c(n(cc3C(O)=O)-c4cccc(C(F)(F)F)c4)c3NC2=O)c1

InChI

InChI=1S/C23H17F3N2O6/c1-32-16-5-11(6-17-21(16)34-10-33-17)14-8-18(29)27-19-15(22(30)31)9-28(20(14)19)13-4-2-3-12(7-13)23(24,25)26/h2-7,9,14H,8,10H2,1H3,(H,27,29)(H,30,31)/t14-/m1/s1

InChI Key

BDLFMOVIPDWKKB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD25975321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

0.286

Water Solubility, LogSw

-4.23

Polar Surface Area

77.703

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8020-3445 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-3445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3445?
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What is the minimum amount of 8020-3445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3445
  • 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 8020-3445 available by request