3505-6155 Screening compound: ethyl 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

3505-6155 Screening compound: ethyl 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate
3505-6155 Screening compound: ethyl 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3505-6155
ethyl 4-[4-(benzyloxy)phenyl]-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

3505-6155

Molecular Formula

C29H25NO4 (C29 H25 NO4)

Compound Name

ethyl 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

IUPAC name

ethyl 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1H4H5H-indeno[12-b]pyridine-3-carboxylate

SMILES

CCOC(C(C1c(cc2)ccc2OCc2ccccc2)=C(C)NC(c2c3cccc2)=C1C3=O)=O

InChI

InChI=1S/C29H25NO4/c1-3-33-29(32)24-18(2)30-27-22-11-7-8-12-23(22)28(31)26(27)25(24)20-13-15-21(16-14-20)34-17-19-9-5-4-6-10-19/h4-16,25,30H,3,17H2,1-2H3/t25-/m0/s1

InChI Key

LGSPYSLIWCPQOR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01975576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-5.59

Polar Surface Area

52.054

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

3505-6155 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3505-6155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3505-6155?
Check Price and Availability of 3505-6155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3505-6155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3505-6155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3505-6155
  • 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 3505-6155 available by request