C656-0611 Screening compound: benzyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate

C656-0611 Screening compound: benzyl 2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
C656-0611 Screening compound: benzyl 2-[3-(3-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 C656-0611
benzyl 2-[3-(3-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

C656-0611

Molecular Formula

C20H17N5O4 (C20 H17 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-n2nnc3c2N=CN(CC(OCc2ccccc2)=O)C3=O)c1

InChI

InChI=1S/C20H17N5O4/c1-28-16-9-5-8-15(10-16)25-19-18(22-23-25)20(27)24(13-21-19)11-17(26)29-12-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3

InChI Key

SCECNMVMCCDVHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.72

Polar Surface Area

81.236

Acid Dissociation Constant (pKa)

24.25

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C656-0611 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C656-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0611?
Check Price and Availability of C656-0611, 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 C656-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0611
  • 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 C656-0611 available by request