C656-0569 Screening compound: methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

C656-0569 Screening compound: methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
C656-0569 Screening compound: methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0569
methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

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

C656-0569

Molecular Formula

C21H18N6O5 (C21 H18 N6 O5)

Compound Name

methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN(C=Nc1c2nnn1-c1cc(OC)ccc1)C2=O)=O)=O

InChI

InChI=1S/C21H18N6O5/c1-31-16-5-3-4-15(10-16)27-19-18(24-25-27)20(29)26(12-22-19)11-17(28)23-14-8-6-13(7-9-14)21(30)32-2/h3-10,12H,11H2,1-2H3,(H,23,28)

InChI Key

NPDFPGPPPWJAPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.92

Polar Surface Area

105.025

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C656-0569 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0569?
Check Price and Availability of C656-0569, 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 C656-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0569
  • 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 C656-0569 available by request