8017-8793 Screening compound: N-(4-fluorophenyl)-5-methyl-7-(pyridin-3-yl)-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

8017-8793 Screening compound: N-(4-fluorophenyl)-5-methyl-7-(pyridin-3-yl)-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
8017-8793 Screening compound: N-(4-fluorophenyl)-5-methyl-7-(pyridin-3-yl)-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8793
N-(4-fluorophenyl)-5-methyl-7-(pyridin-3-yl)-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

8017-8793

Molecular Formula

C19H14F4N6O (C19 H14 F4 N6 O)

Compound Name

N-(4-fluorophenyl)-5-methyl-7-(pyridin-3-yl)-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-(4-fluorophenyl)-5-methyl-7-(pyridin-3-yl)-2-(trifluoromethyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(C(F)(F)F)nn1C1c2cnccc2)=C1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C19H14F4N6O/c1-10-14(16(30)26-13-6-4-12(20)5-7-13)15(11-3-2-8-24-9-11)29-18(25-10)27-17(28-29)19(21,22)23/h2-9,15H,1H3,(H,26,30)(H,25,27,28)/t15-/m0/s1

InChI Key

JQSVUMOFOITPJS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06192627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-3.15

Polar Surface Area

69.658

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8017-8793 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-8793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8793?
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What is the minimum amount of 8017-8793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8793
  • 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 8017-8793 available by request