C656-0694 Screening compound: ethyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate

C656-0694 Screening compound: ethyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate
C656-0694 Screening compound: ethyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0694
ethyl 2-[3-(4-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate

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

C656-0694

Molecular Formula

C16H17N5O4 (C16 H17 N5 O4)

Compound Name

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

IUPAC name

n/a

SMILES

CCOC(C(C)N(C=Nc1c2nnn1-c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C16H17N5O4/c1-4-25-16(23)10(2)20-9-17-14-13(15(20)22)18-19-21(14)11-5-7-12(24-3)8-6-11/h5-10H,4H2,1-3H3/t10-/m0/s1

InChI Key

NPGFFTVPAHXLGT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04471274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.216

Distribution Coefficient, logD

1.216

Water Solubility, LogSw

-2.02

Polar Surface Area

81.234

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C656-0694 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C656-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0694?
Check Price and Availability of C656-0694, 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 C656-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0694
  • 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 C656-0694 available by request