C561-3225 Screening compound: 6-benzyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxamide

C561-3225 Screening compound: 6-benzyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxamide
C561-3225 Screening compound: 6-benzyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3225
6-benzyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxamide

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

C561-3225

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

6-benzyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxamide

IUPAC name

6-benzyl-N-[2-(24-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-56-dihydro-16-naphthyridine-3-carboxamide

SMILES

Cc(c(C(NCCc(ccc(OC)c1)c1OC)=O)c1)nc(C=CN2Cc3ccccc3)c1C2=O

InChI

InChI=1S/C27H27N3O4/c1-18-22(26(31)28-13-11-20-9-10-21(33-2)15-25(20)34-3)16-23-24(29-18)12-14-30(27(23)32)17-19-7-5-4-6-8-19/h4-10,12,14-16H,11,13,17H2,1-3H3,(H,28,31)

InChI Key

FXXOVYSTIZGVMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.18

Polar Surface Area

65.804

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C561-3225 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C561-3225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3225?
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What is the minimum amount of C561-3225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3225
  • 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 C561-3225 available by request