J034-0102 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-3,4-dimethoxyaniline

J034-0102 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-3,4-dimethoxyaniline
J034-0102 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-3,4-dimethoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0102
N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}-3,4-dimethoxyaniline

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

J034-0102

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC1(CCCCC1)c1nnnn1-c(cc1)cc(OC)c1OC)c1)c1OC

InChI

InChI=1S/C23H29N5O4/c1-29-18-10-8-16(14-20(18)31-3)24-23(12-6-5-7-13-23)22-25-26-27-28(22)17-9-11-19(30-2)21(15-17)32-4/h8-11,14-15,24H,5-7,12-13H2,1-4H3

InChI Key

SWQXHODBUSFFAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.75

Polar Surface Area

79.827

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with J034-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0102?
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What is the minimum amount of J034-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0102
  • 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 J034-0102 available by request