8020-0795 Screening compound: 1-(4-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

8020-0795 Screening compound: 1-(4-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
8020-0795 Screening compound: 1-(4-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0795
1-(4-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-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

8020-0795

Molecular Formula

C21H17FN2O4 (C21 H17 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)c(n(cc3C(O)=O)-c(cc4)ccc4F)c3NC2=O)cc1

InChI

InChI=1S/C21H17FN2O4/c1-28-15-8-2-12(3-9-15)16-10-18(25)23-19-17(21(26)27)11-24(20(16)19)14-6-4-13(22)5-7-14/h2-9,11,16H,10H2,1H3,(H,23,25)(H,26,27)/t16-/m1/s1

InChI Key

FVIMGGXCGKFOQR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD12034885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

-0.443

Water Solubility, LogSw

-3.43

Polar Surface Area

60.817

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8020-0795 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0795?
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What is the minimum amount of 8020-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0795
  • 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 8020-0795 available by request