C656-0520 Screening compound: ethyl 2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate

C656-0520 Screening compound: ethyl 2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate
C656-0520 Screening compound: ethyl 2-[3-(3-chlorophenyl)-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 C656-0520
ethyl 2-[3-(3-chlorophenyl)-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

C656-0520

Molecular Formula

C15H14ClN5O3 (C15 H14 ClN5 O3)

Compound Name

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

IUPAC name

ethyl 2-[3-(3-chlorophenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]propanoate

SMILES

CCOC(C(C)N(C=Nc1c2nnn1-c1cccc(Cl)c1)C2=O)=O

InChI

InChI=1S/C15H14ClN5O3/c1-3-24-15(23)9(2)20-8-17-13-12(14(20)22)18-19-21(13)11-6-4-5-10(16)7-11/h4-9H,3H2,1-2H3/t9-/m0/s1

InChI Key

HTUFOGYSNKRIGE-VIFPVBQESA-N

MDL Number (MFCD)

MFCD04471130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-2.67

Polar Surface Area

73.690

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

C656-0520 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C656-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0520?
Check Price and Availability of C656-0520, 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 C656-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0520
  • 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 C656-0520 available by request