0495-0131 Screening compound: 2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

0495-0131 Screening compound: 2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
0495-0131 Screening compound: 2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0131
2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

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

0495-0131

Molecular Formula

C24H28Br4O8 (C24 H28 Br4 O8)

Compound Name

2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

IUPAC name

14153031-tetrabromo-2581118212427-octaoxatricyclo[26.4.0.0^{1217}]dotriaconta-1(28)12(17)13152931-hexaene

SMILES

Brc(c(Br)c1)cc(OCCOCCOCCOc2c3)c1OCCOCCOCCOc2cc(Br)c3Br

InChI

InChI=1S/C24H28Br4O8/c25-17-13-21-22(14-18(17)26)35-11-7-31-3-4-32-8-12-36-24-16-20(28)19(27)15-23(24)34-10-6-30-2-1-29-5-9-33-21/h13-16H,1-12H2

InChI Key

LHHOBWJONQINII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00314348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

764.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.07

Polar Surface Area

63.658

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 0495-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0131?
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What is the minimum amount of 0495-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0131
  • 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 0495-0131 available by request