8020-0796 Screening compound: 7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

8020-0796 Screening compound: 7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
8020-0796 Screening compound: 7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0796
7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-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

8020-0796

Molecular Formula

C22H17F3N2O4 (C22 H17 F3 N2 O4)

Compound Name

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

IUPAC name

7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1H4H5H6H7H-pyrrolo[32-b]pyridine-3-carboxylic acid

SMILES

COc1ccc(C(C2)c(n(cc3C(O)=O)-c4cccc(C(F)(F)F)c4)c3NC2=O)cc1

InChI

InChI=1S/C22H17F3N2O4/c1-31-15-7-5-12(6-8-15)16-10-18(28)26-19-17(21(29)30)11-27(20(16)19)14-4-2-3-13(9-14)22(23,24)25/h2-9,11,16H,10H2,1H3,(H,26,28)(H,29,30)/t16-/m1/s1

InChI Key

OCOUMWAPOFIDBD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD12034886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

0.354

Water Solubility, LogSw

-4.23

Polar Surface Area

60.817

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

8020-0796 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0796?
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What is the minimum amount of 8020-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0796
  • 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 8020-0796 available by request