0896-4200 Screening compound: 18,19-dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

0896-4200 Screening compound: 18,19-dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine
0896-4200 Screening compound: 18,19-dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-4200
18,19-dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

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

0896-4200

Molecular Formula

C16H22Br2O6 (C16 H22 Br2 O6)

Compound Name

18,19-dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

IUPAC name

1819-dibromo-23568911121415-decahydro-147101316-benzohexaoxacyclooctadecine

SMILES

Brc(cc1OCCOCCOCCOCCOCCOc1c1)c1Br

InChI

InChI=1S/C16H22Br2O6/c17-13-11-15-16(12-14(13)18)24-10-8-22-6-4-20-2-1-19-3-5-21-7-9-23-15/h11-12H,1-10H2

InChI Key

LMBHRNOMDYJMDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.648

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-1.64

Polar Surface Area

48.027

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

0896-4200 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0896-4200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-4200?
Check Price and Availability of 0896-4200, 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 0896-4200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-4200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-4200
  • 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 0896-4200 available by request