H024-0166 Screening compound: 2-{5-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}aniline

H024-0166 Screening compound: 2-{5-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}aniline
H024-0166 Screening compound: 2-{5-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0166
2-{5-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}aniline

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

H024-0166

Molecular Formula

C15H11F3N4O (C15 H11 F3 N4 O)

Compound Name

2-{5-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}aniline

IUPAC name

2-{5-[3-(trifluoromethoxy)phenyl]-1H-124-triazol-3-yl}aniline

SMILES

Nc(cccc1)c1-c1n[nH]c(-c2cccc(OC(F)(F)F)c2)n1

InChI

InChI=1S/C15H11F3N4O/c16-15(17,18)23-10-5-3-4-9(8-10)13-20-14(22-21-13)11-6-1-2-7-12(11)19/h1-8H,19H2,(H,20,21,22)

InChI Key

AJIHZJLAAGDLND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.59

Polar Surface Area

59.785

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

H024-0166 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with H024-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0166?
Check Price and Availability of H024-0166, 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 H024-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0166
  • 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 H024-0166 available by request