D043-0305 Screening compound: methyl 2-{2-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

D043-0305 Screening compound: methyl 2-{2-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
D043-0305 Screening compound: methyl 2-{2-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0305
methyl 2-{2-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

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

D043-0305

Molecular Formula

C16H16N4O3 (C16 H16 N4 O3)

Compound Name

methyl 2-{2-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

IUPAC name

methyl 2-{2-benzyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl}acetate

SMILES

CC(Nc1nc(Cc2ccccc2)nn11)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C16H16N4O3/c1-10-12(9-14(21)23-2)15(22)20-16(17-10)18-13(19-20)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18,19)

InChI Key

FRIQXGXOWZEMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.101

Water Solubility, LogSw

-1.74

Polar Surface Area

71.821

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D043-0305 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D043-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0305?
Check Price and Availability of D043-0305, 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 D043-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0305
  • 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 D043-0305 available by request