0495-0090 Screening compound: 2,3,22,23-tetrabromo-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

0495-0090 Screening compound: 2,3,22,23-tetrabromo-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine
0495-0090 Screening compound: 2,3,22,23-tetrabromo-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0090
2,3,22,23-tetrabromo-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

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

0495-0090

Molecular Formula

C28H36Br4O10 (C28 H36 Br4 O10)

Compound Name

2,3,22,23-tetrabromo-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

IUPAC name

14153637-tetrabromo-25811182124273033-decaoxatricyclo[32.4.0.0^{1217}]octatriaconta-1(34)12(17)13153537-hexaene

SMILES

Brc(c(Br)c1)cc(OCCOCCOCCOCCOCCOc2c3)c1OCCOCCOCCOc2cc(Br)c3Br

InChI

InChI=1S/C28H36Br4O10/c29-21-17-25-27(19-23(21)31)41-15-11-37-7-8-38-12-16-42-28-20-24(32)22(30)18-26(28)40-14-10-36-6-4-34-2-1-33-3-5-35-9-13-39-25/h17-20H,1-16H2

InChI Key

RNAYXQSWROKSQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00314341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

852.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.41

Polar Surface Area

79.475

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 0495-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0090?
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What is the minimum amount of 0495-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0090
  • 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 0495-0090 available by request