0896-3663 Screening compound: 15,16-dibromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

0896-3663 Screening compound: 15,16-dibromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
0896-3663 Screening compound: 15,16-dibromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-3663
15,16-dibromo-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

0896-3663

Molecular Formula

C14H18Br2O5 (C14 H18 Br2 O5)

Compound Name

15,16-dibromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

IUPAC name

1516-dibromo-2356891112-octahydro-1471013-benzopentaoxacyclopentadecine

SMILES

Brc(cc1OCCOCCOCCOCCOc1c1)c1Br

InChI

InChI=1S/C14H18Br2O5/c15-11-9-13-14(10-12(11)16)21-8-6-19-4-2-17-1-3-18-5-7-20-13/h9-10H,1-8H2

InChI Key

JBQPMTPIOPFZOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00412039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.1

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

1.823

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-1.67

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

0896-3663 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0896-3663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-3663?
Check Price and Availability of 0896-3663, 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 0896-3663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-3663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-3663
  • 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 0896-3663 available by request