J016-0070 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide

J016-0070 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
J016-0070 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0070
2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide

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

J016-0070

Molecular Formula

C22H22F3N5O3 (C22 H22 F3 N5 O3)

Compound Name

2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[4-methyl-2-(4H-124-triazol-4-yl)phenoxy]-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide

SMILES

Cc(cc1)cc(-n2cnnc2)c1OCC(Nc(cc(C(F)(F)F)cc1)c1N1CCOCC1)=O

InChI

InChI=1S/C22H22F3N5O3/c1-15-2-5-20(19(10-15)30-13-26-27-14-30)33-12-21(31)28-17-11-16(22(23,24)25)3-4-18(17)29-6-8-32-9-7-29/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,28,31)

InChI Key

NCKAQEIETUXOJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.46

Polar Surface Area

66.795

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

J016-0070 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J016-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0070?
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What is the minimum amount of J016-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0070
  • 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 J016-0070 available by request