5408-1694 Screening compound: methyl 4-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

5408-1694 Screening compound: methyl 4-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate
5408-1694 Screening compound: methyl 4-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1694
methyl 4-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

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

5408-1694

Molecular Formula

C22H18BrNO5 (C22 H18 BrNO5)

Compound Name

methyl 4-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

IUPAC name

methyl 4-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1H4H5H-indeno[12-b]pyridine-3-carboxylate

SMILES

CC(NC(c1c2cccc1)=C(C1c(cc(c(O)c3)OC)c3Br)C2=O)=C1C(OC)=O

InChI

InChI=1S/C22H18BrNO5/c1-10-17(22(27)29-3)18(13-8-16(28-2)15(25)9-14(13)23)19-20(24-10)11-6-4-5-7-12(11)21(19)26/h4-9,18,24-25H,1-3H3/t18-/m0/s1

InChI Key

LATOPKRDEOVRRG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03703912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

-0.275

Water Solubility, LogSw

-3.42

Polar Surface Area

69.425

Acid Dissociation Constant (pKa)

3.55

Base Dissociation Constant (pKb)

-7.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

5408-1694 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5408-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1694?
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What is the minimum amount of 5408-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1694
  • 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 5408-1694 available by request