0495-0085 Screening compound: 2,3,13,14-tetrabromo-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine

0495-0085 Screening compound: 2,3,13,14-tetrabromo-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine
0495-0085 Screening compound: 2,3,13,14-tetrabromo-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0085
2,3,13,14-tetrabromo-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine

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

0495-0085

Molecular Formula

C18H16Br4O5 (C18 H16 Br4 O5)

Compound Name

2,3,13,14-tetrabromo-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine

IUPAC name

892122-tetrabromo-25121518-pentaoxatricyclo[17.4.0.0^{611}]tricosa-1(19)6(11)792022-hexaene

SMILES

Brc(c(Br)c1)cc(OCCOCCOc2c3)c1OCCOc2cc(Br)c3Br

InChI

InChI=1S/C18H16Br4O5/c19-11-7-15-17(9-13(11)21)26-5-6-27-18-10-14(22)12(20)8-16(18)25-4-2-23-1-3-24-15/h7-10H,1-6H2

InChI Key

HAPZGPUUUFZLAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00353676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.94

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

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.36

Polar Surface Area

39.932

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0495-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0085?
Check Price and Availability of 0495-0085, 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 0495-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0085
  • 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 0495-0085 available by request