D661-0036 Screening compound: N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cyclooctanamine

D661-0036 Screening compound: N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cyclooctanamine
D661-0036 Screening compound: N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cyclooctanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D661-0036
N-({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)cyclooctanamine

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

D661-0036

Molecular Formula

C23H29N5O2 (C23 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(CNC1CCCCCCC1)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C23H29N5O2/c1-29-22-16-18(17-24-19-10-6-3-2-4-7-11-19)14-15-21(22)30-23-25-26-27-28(23)20-12-8-5-9-13-20/h5,8-9,12-16,19,24H,2-4,6-7,10-11,17H2,1H3

InChI Key

DJVAGTDWIGQORM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08544621

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.52

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

4.653

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-4.55

Polar Surface Area

65.957

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with D661-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D661-0036?
Check Price and Availability of D661-0036, 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 D661-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D661-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D661-0036
  • 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 D661-0036 available by request