0177-0002 Screening compound: 7-methyl-3,5,6,7,8,9,11,12-octahydro-2H-1,4,10,13,7-benzotetraoxazacyclopentadecine

0177-0002 Screening compound: 7-methyl-3,5,6,7,8,9,11,12-octahydro-2H-1,4,10,13,7-benzotetraoxazacyclopentadecine
0177-0002 Screening compound: 7-methyl-3,5,6,7,8,9,11,12-octahydro-2H-1,4,10,13,7-benzotetraoxazacyclopentadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0002
7-methyl-3,5,6,7,8,9,11,12-octahydro-2H-1,4,10,13,7-benzotetraoxazacyclopentadecine

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

0177-0002

Molecular Formula

C15H23NO4 (C15 H23 NO4)

Compound Name

7-methyl-3,5,6,7,8,9,11,12-octahydro-2H-1,4,10,13,7-benzotetraoxazacyclopentadecine

IUPAC name

7-methyl-3567891112-octahydro-2H-1410137-benzotetraoxazacyclopentadecine

SMILES

CN1CCOCCOc(cccc2)c2OCCOCC1

InChI

InChI=1S/C15H23NO4/c1-16-6-8-17-10-12-19-14-4-2-3-5-15(14)20-13-11-18-9-7-16/h2-5H,6-13H2,1H3

InChI Key

KWGIEMFOSHVZCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.35

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

0.690

Distribution Coefficient, logD

0.281

Water Solubility, LogSw

-1.15

Polar Surface Area

35.686

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

0177-0002 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0177-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0002?
Check Price and Availability of 0177-0002, 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 0177-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0002
  • 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 0177-0002 available by request