4358-6147 Screening compound: ethyl 5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

4358-6147 Screening compound: ethyl 5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
4358-6147 Screening compound: ethyl 5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-6147
ethyl 5,7-diphenyl-4H,7H-[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

4358-6147

Molecular Formula

C20H18N4O2 (C20 H18 N4 O2)

Compound Name

ethyl 5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 57-diphenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(c2ccccc2)Nc2ncnn2C1c1ccccc1)=O

InChI

InChI=1S/C20H18N4O2/c1-2-26-19(25)16-17(14-9-5-3-6-10-14)23-20-21-13-22-24(20)18(16)15-11-7-4-8-12-15/h3-13,18H,2H2,1H3,(H,21,22,23)/t18-/m0/s1

InChI Key

RBUHWAHIYQEPMX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02370548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-3.89

Polar Surface Area

58.973

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4358-6147 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4358-6147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-6147?
Check Price and Availability of 4358-6147, 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 4358-6147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-6147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-6147
  • 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 4358-6147 available by request