0913-0033 Screening compound: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

0913-0033 Screening compound: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
0913-0033 Screening compound: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0913-0033
15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

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

0913-0033

Molecular Formula

C14H19IO5 (C14 H19 IO5)

Compound Name

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

IUPAC name

15-iodo-2356891112-octahydro-1471013-benzopentaoxacyclopentadecine

SMILES

Ic(cc1)cc2c1OCCOCCOCCOCCO2

InChI

InChI=1S/C14H19IO5/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,3-10H2

InChI Key

UXBJJRUMSVZBOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00422157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.25

Polar Surface Area

40.118

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 0913-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0913-0033?
Check Price and Availability of 0913-0033, 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 0913-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0913-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0913-0033
  • 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 0913-0033 available by request