G487-0567 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide

G487-0567 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide
G487-0567 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G487-0567
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide

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

G487-0567

Molecular Formula

C25H22N4O5 (C25 H22 N4 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[2-(3-cyano-46-dimethyl-2-oxo-12-dihydropyridin-1-yl)acetamido]benzamide

SMILES

CC(C=C(C)N(CC(Nc(cccc1)c1C(NCc(cc1)cc2c1OCO2)=O)=O)C1=O)=C1C#N

InChI

InChI=1S/C25H22N4O5/c1-15-9-16(2)29(25(32)19(15)11-26)13-23(30)28-20-6-4-3-5-18(20)24(31)27-12-17-7-8-21-22(10-17)34-14-33-21/h3-10H,12-14H2,1-2H3,(H,27,31)(H,28,30)

InChI Key

DBAQPCFLOXQCJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15014405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.18

Polar Surface Area

96.464

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G487-0567 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G487-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G487-0567?
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What is the minimum amount of G487-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G487-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G487-0567
  • 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 G487-0567 available by request