C656-0669 Screening compound: 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide

C656-0669 Screening compound: 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide
C656-0669 Screening compound: 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0669
2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide

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

C656-0669

Molecular Formula

C18H20N6O4 (C18 H20 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1nnc2c1N=CN(CC(NCC1OCCC1)=O)C2=O

InChI

InChI=1S/C18H20N6O4/c1-27-13-6-4-12(5-7-13)24-17-16(21-22-24)18(26)23(11-20-17)10-15(25)19-9-14-3-2-8-28-14/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,25)/t14-/m1/s1

InChI Key

JCXOAVPVIMSZCX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04471256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.091

Distribution Coefficient, logD

-0.091

Water Solubility, LogSw

-1.90

Polar Surface Area

93.828

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C656-0669 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C656-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0669?
Check Price and Availability of C656-0669, 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 C656-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0669
  • 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 C656-0669 available by request