J034-0096 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methoxyaniline

J034-0096 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methoxyaniline
J034-0096 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0096
N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methoxyaniline

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

J034-0096

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-4-methoxyaniline

IUPAC name

N-{1-[1-(34-dimethoxyphenyl)-1H-1234-tetrazol-5-yl]cyclohexyl}-4-methoxyaniline

SMILES

COc(cc1)ccc1NC1(CCCCC1)c1nnnn1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C22H27N5O3/c1-28-18-10-7-16(8-11-18)23-22(13-5-4-6-14-22)21-24-25-26-27(21)17-9-12-19(29-2)20(15-17)30-3/h7-12,15,23H,4-6,13-14H2,1-3H3

InChI Key

DCQSOAALKGTJCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.20

Polar Surface Area

72.110

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with J034-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0096?
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What is the minimum amount of J034-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0096
  • 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 J034-0096 available by request