8018-5192 Screening compound: ethyl 2-methyl-5-phenyl-7-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

8018-5192 Screening compound: ethyl 2-methyl-5-phenyl-7-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
8018-5192 Screening compound: ethyl 2-methyl-5-phenyl-7-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5192
ethyl 2-methyl-5-phenyl-7-(pyridin-3-yl)-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

8018-5192

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

ethyl 2-methyl-5-phenyl-7-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-methyl-5-phenyl-7-(pyridin-3-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(c2ccccc2)Nc2nc(C)nn2C1c1cnccc1)=O

InChI

InChI=1S/C20H19N5O2/c1-3-27-19(26)16-17(14-8-5-4-6-9-14)23-20-22-13(2)24-25(20)18(16)15-10-7-11-21-12-15/h4-12,18H,3H2,1-2H3,(H,22,23,24)/t18-/m0/s1

InChI Key

SROCTOJQMHESDB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06193604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

0.317

Water Solubility, LogSw

-2.80

Polar Surface Area

67.163

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8018-5192 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 8018-5192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5192?
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What is the minimum amount of 8018-5192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5192
  • 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 8018-5192 available by request