J034-0704 Screening compound: N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methylaniline

J034-0704 Screening compound: N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methylaniline
J034-0704 Screening compound: N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0704
N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methylaniline

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

J034-0704

Molecular Formula

C22H27N5 (C22 H27 N5)

Compound Name

N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methylaniline

IUPAC name

N-{1-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]cyclohexyl}-4-methylaniline

SMILES

Cc(cc1)ccc1NC1(CCCCC1)c1nnnn1-c1c(C)cccc1C

InChI

InChI=1S/C22H27N5/c1-16-10-12-19(13-11-16)23-22(14-5-4-6-15-22)21-24-25-26-27(21)20-17(2)8-7-9-18(20)3/h7-13,23H,4-6,14-15H2,1-3H3

InChI Key

GWIJYWJYUASNEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00367642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

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

5.566

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.42

Polar Surface Area

48.704

Acid Dissociation Constant (pKa)

20.91

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

J034-0704 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J034-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0704?
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What is the minimum amount of J034-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0704
  • 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 J034-0704 available by request