J034-0094 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline

J034-0094 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline
J034-0094 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0094
N-{1-[1-(3,4-dimethoxyphenyl)-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

J034-0094

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-n1nnnc1C1(CCCCC1)Nc1ccccc1)c1)c1OC

InChI

InChI=1S/C21H25N5O2/c1-27-18-12-11-17(15-19(18)28-2)26-20(23-24-25-26)21(13-7-4-8-14-21)22-16-9-5-3-6-10-16/h3,5-6,9-12,15,22H,4,7-8,13-14H2,1-2H3

InChI Key

XPVBPYXPEYGDSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.03

Polar Surface Area

64.566

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with J034-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0094?
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What is the minimum amount of J034-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0094
  • 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 J034-0094 available by request