1279-4107 Screening compound: 6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione

1279-4107 Screening compound: 6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione
1279-4107 Screening compound: 6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1279-4107
6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione

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

1279-4107

Molecular Formula

C18H34N4O5S2 (C18 H34 N4 O5 S2)

Compound Name

6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione

IUPAC name

69172025-pentaoxa-131214-tetraazabicyclo[12.8.5]heptacosane-213-dithione

SMILES

S=C(NCCOCCOCCN1)N(CCOCC2)CCOCCOCCN2C1=S

InChI

InChI=1S/C18H34N4O5S2/c28-17-19-1-7-23-13-14-24-8-2-20-18(29)22-4-10-25-9-3-21(17)5-11-26-15-16-27-12-6-22/h1-16H2,(H,19,28)(H,20,29)

InChI Key

ZEHCCIGVKARIAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.138

Distribution Coefficient, logD

-0.138

Water Solubility, LogSw

-1.09

Polar Surface Area

70.525

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

88.90

References: we are preparing a list of scientific research reports with 1279-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1279-4107?
Check Price and Availability of 1279-4107, 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 1279-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1279-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1279-4107
  • 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 1279-4107 available by request