J034-1950 Screening compound: 2-methyl-N-{1-[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline

J034-1950 Screening compound: 2-methyl-N-{1-[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline
J034-1950 Screening compound: 2-methyl-N-{1-[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1950
2-methyl-N-{1-[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}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

J034-1950

Molecular Formula

C21H25N5 (C21 H25 N5)

Compound Name

2-methyl-N-{1-[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline

IUPAC name

2-methyl-N-{1-[1-(3-methylphenyl)-1H-1234-tetrazol-5-yl]cyclohexyl}aniline

SMILES

Cc1cccc(-n2nnnc2C2(CCCCC2)Nc2c(C)cccc2)c1

InChI

InChI=1S/C21H25N5/c1-16-9-8-11-18(15-16)26-20(23-24-25-26)21(13-6-3-7-14-21)22-19-12-5-4-10-17(19)2/h4-5,8-12,15,22H,3,6-7,13-14H2,1-2H3

InChI Key

DTIRVJDIANFKMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.51

Polar Surface Area

48.608

Acid Dissociation Constant (pKa)

20.80

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with J034-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1950?
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What is the minimum amount of J034-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1950
  • 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 J034-1950 available by request