C656-0692 Screening compound: methyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate

C656-0692 Screening compound: methyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
C656-0692 Screening compound: methyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0692
methyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate

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

C656-0692

Molecular Formula

C14H13N5O4 (C14 H13 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(CN(C=Nc1c2nnn1-c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C14H13N5O4/c1-22-10-5-3-9(4-6-10)19-13-12(16-17-19)14(21)18(8-15-13)7-11(20)23-2/h3-6,8H,7H2,1-2H3

InChI Key

GPFKIMPLOAYXRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.381

Distribution Coefficient, logD

0.381

Water Solubility, LogSw

-1.61

Polar Surface Area

81.552

Acid Dissociation Constant (pKa)

24.25

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C656-0692 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C656-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0692?
Check Price and Availability of C656-0692, 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 C656-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0692
  • 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 C656-0692 available by request