J067-0645 Screening compound: N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cycloheptanamine

J067-0645 Screening compound: N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cycloheptanamine
J067-0645 Screening compound: N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cycloheptanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound J067-0645
N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cycloheptanamine

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

J067-0645

Molecular Formula

C22H27N5O2 (C22 H27 N5 O2)

Compound Name

N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cycloheptanamine

IUPAC name

N-({3-methoxy-4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)cycloheptanamine

SMILES

COc(cc(CNC1CCCCCC1)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C22H27N5O2/c1-28-21-15-17(16-23-18-9-5-2-3-6-10-18)13-14-20(21)29-22-24-25-26-27(22)19-11-7-4-8-12-19/h4,7-8,11-15,18,23H,2-3,5-6,9-10,16H2,1H3

InChI Key

NNXPWDCAYGXNJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688366

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

0.752

Water Solubility, LogSw

-4.37

Polar Surface Area

65.957

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

10.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with J067-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J067-0645?
Check Price and Availability of J067-0645, 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 J067-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J067-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J067-0645
  • 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 J067-0645 available by request