3253-0813 Screening compound: N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[2-(trifluoromethyl)phenyl]methylidene}amine

3253-0813 Screening compound: N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[2-(trifluoromethyl)phenyl]methylidene}amine
3253-0813 Screening compound: N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[2-(trifluoromethyl)phenyl]methylidene}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-0813
N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[2-(trifluoromethyl)phenyl]methylidene}amine

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

3253-0813

Molecular Formula

C12H11F3N4 (C12 H11 F3 N4)

Compound Name

N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[2-(trifluoromethyl)phenyl]methylidene}amine

IUPAC name

(E)-N-(35-dimethyl-4H-124-triazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanimine

SMILES

Cc1nnc(C)n1/N=C/c1c(C(F)(F)F)cccc1

InChI

InChI=1S/C12H11F3N4/c1-8-17-18-9(2)19(8)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-7H,1-2H3

InChI Key

ZOTRHZKBKDREBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.716

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-2.04

Polar Surface Area

36.849

Acid Dissociation Constant (pKa)

30.70

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3253-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-0813?
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What is the minimum amount of 3253-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-0813
  • 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 3253-0813 available by request