J034-0062 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}cyclohexanamine

J034-0062 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}cyclohexanamine
J034-0062 Screening compound: N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}cyclohexanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0062
N-{1-[1-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}cyclohexanamine

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

J034-0062

Molecular Formula

C20H29N5O2 (C20 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-n1nnnc1C1(CCCC1)NC1CCCCC1)c1)c1OC

InChI

InChI=1S/C20H29N5O2/c1-26-17-11-10-16(14-18(17)27-2)25-19(22-23-24-25)20(12-6-7-13-20)21-15-8-4-3-5-9-15/h10-11,14-15,21H,3-9,12-13H2,1-2H3

InChI Key

JHHGQRPBOYXQAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-4.00

Polar Surface Area

65.980

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

J034-0062 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J034-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0062?
Check Price and Availability of J034-0062, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J034-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0062
  • 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 J034-0062 available by request