C561-3019 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

C561-3019 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide
C561-3019 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3019
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

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

C561-3019

Molecular Formula

C25H29N5O4 (C25 H29 N5 O4)

Compound Name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

IUPAC name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamide

SMILES

Cc1c(CCC(NCCc2c[nH]c(cc3)c2cc3OC)=O)c(C)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C25H29N5O4/c1-14-18(15(2)28-23-22(14)24(32)30(4)25(33)29(23)3)7-9-21(31)26-11-10-16-13-27-20-8-6-17(34-5)12-19(16)20/h6,8,12-13,27H,7,9-11H2,1-5H3,(H,26,31)

InChI Key

VGYREMANJGRTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.44

Polar Surface Area

83.273

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C561-3019 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C561-3019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3019?
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What is the minimum amount of C561-3019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3019
  • 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 C561-3019 available by request