7752-0091 Screening compound: ethyl 2-methyl-5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

7752-0091 Screening compound: ethyl 2-methyl-5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
7752-0091 Screening compound: ethyl 2-methyl-5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0091
ethyl 2-methyl-5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

7752-0091

Molecular Formula

C15H16N4O3 (C15 H16 N4 O3)

Compound Name

ethyl 2-methyl-5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

n/a

SMILES

CCOC(C(C(c1ccccc1)n1nc(C)nc1N1)C1=O)=O

InChI

InChI=1S/C15H16N4O3/c1-3-22-14(21)11-12(10-7-5-4-6-8-10)19-15(17-13(11)20)16-9(2)18-19/h4-8,11-12H,3H2,1-2H3,(H,16,17,18,20)

InChI Key

NULKNWNNTGSSHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06603298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.458

Distribution Coefficient, logD

1.436

Water Solubility, LogSw

-1.98

Polar Surface Area

71.557

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

7752-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7752-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0091?
Check Price and Availability of 7752-0091, 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 7752-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0091
  • 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 7752-0091 available by request