J034-1259 Screening compound: N-{2-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-3-(trifluoromethyl)aniline

J034-1259 Screening compound: N-{2-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-3-(trifluoromethyl)aniline
J034-1259 Screening compound: N-{2-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-3-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1259
N-{2-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-3-(trifluoromethyl)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

J034-1259

Molecular Formula

C20H22F3N5 (C20 H22 F3 N5)

Compound Name

N-{2-[1-(2-ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]propan-2-yl}-3-(trifluoromethyl)aniline

IUPAC name

N-{2-[1-(2-ethyl-6-methylphenyl)-1H-1234-tetrazol-5-yl]propan-2-yl}-3-(trifluoromethyl)aniline

SMILES

CCc(cccc1C)c1-n1nnnc1C(C)(C)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C20H22F3N5/c1-5-14-9-6-8-13(2)17(14)28-18(25-26-27-28)19(3,4)24-16-11-7-10-15(12-16)20(21,22)23/h6-12,24H,5H2,1-4H3

InChI Key

WCJXIMKMYHQMEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00356493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.806

Water Solubility, LogSw

-5.79

Polar Surface Area

48.224

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with J034-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1259?
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What is the minimum amount of J034-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1259
  • 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 J034-1259 available by request