C656-0522 Screening compound: METHYL 2-[3-(3-CHLOROPHENYL)-7-OXO-3,7-DIHYDRO-6H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-6-YL]BUTANOATE

C656-0522 Screening compound: METHYL 2-[3-(3-CHLOROPHENYL)-7-OXO-3,7-DIHYDRO-6H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-6-YL]BUTANOATE
C656-0522 Screening compound: METHYL 2-[3-(3-CHLOROPHENYL)-7-OXO-3,7-DIHYDRO-6H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-6-YL]BUTANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0522
METHYL 2-[3-(3-CHLOROPHENYL)-7-OXO-3,7-DIHYDRO-6H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-6-YL]BUTANOATE

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

C656-0522

Molecular Formula

C15H14ClN5O3 (C15 H14 ClN5 O3)

Compound Name

METHYL 2-[3-(3-CHLOROPHENYL)-7-OXO-3,7-DIHYDRO-6H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-6-YL]BUTANOATE

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C15H14ClN5O3/c1-3-11(15(23)24-2)20-8-17-13-12(14(20)22)18-19-21(13)10-6-4-5-9(16)7-10/h4-8,11H,3H2,1-2H3/t11-/m0/s1

InChI Key

SYYYTQBXILLOOF-NSHDSACASA-N

MDL Number (MFCD)

MFCD04471132

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

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.73

Polar Surface Area

73.695

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

C656-0522 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 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
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C656-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0522?
Check Price and Availability of C656-0522, 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 C656-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0522
  • 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 C656-0522 available by request