0176-0039 Screening compound: 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine

0176-0039 Screening compound: 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine
0176-0039 Screening compound: 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0176-0039
2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine

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

0176-0039

Molecular Formula

C14H21NO5 (C14 H21 NO5)

Compound Name

2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine

IUPAC name

2356891112-octahydro-1471013-benzopentaoxacyclopentadecin-15-amine

SMILES

Nc(cc1)cc2c1OCCOCCOCCOCCO2

InChI

InChI=1S/C14H21NO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10,15H2

InChI Key

CQNGAZMLFIMLQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.447

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-1.30

Polar Surface Area

60.924

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with 0176-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0176-0039?
Check Price and Availability of 0176-0039, 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 0176-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0176-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0176-0039
  • 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 0176-0039 available by request