D205-0331 Screening compound: N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4-dimethoxybenzamide

D205-0331 Screening compound: N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4-dimethoxybenzamide
D205-0331 Screening compound: N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0331
N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4-dimethoxybenzamide

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

D205-0331

Molecular Formula

C22H21N5O4 (C22 H21 N5 O4)

Compound Name

N-{6-benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{6-benzyl-7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-2-yl}-34-dimethoxybenzamide

SMILES

Cc1nc2nc(NC(c(cc3)cc(OC)c3OC)=O)nn2c(O)c1Cc1ccccc1

InChI

InChI=1S/C22H21N5O4/c1-13-16(11-14-7-5-4-6-8-14)20(29)27-22(23-13)25-21(26-27)24-19(28)15-9-10-17(30-2)18(12-15)31-3/h4-10,12,29H,11H2,1-3H3,(H,24,26,28)

InChI Key

HAAGFPXPZPRBFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.95

Polar Surface Area

86.022

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D205-0331 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D205-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0331?
Check Price and Availability of D205-0331, 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 D205-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0331
  • 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 D205-0331 available by request