0242-0417 Screening compound: 4,10-dibenzyl-1,7-dioxa-4,10-diazacyclododecane

0242-0417 Screening compound: 4,10-dibenzyl-1,7-dioxa-4,10-diazacyclododecane
0242-0417 Screening compound: 4,10-dibenzyl-1,7-dioxa-4,10-diazacyclododecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0417
4,10-dibenzyl-1,7-dioxa-4,10-diazacyclododecane

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

0242-0417

Molecular Formula

C22H30N2O2 (C22 H30 N2 O2)

Compound Name

4,10-dibenzyl-1,7-dioxa-4,10-diazacyclododecane

IUPAC name

410-dibenzyl-17-dioxa-410-diazacyclododecane

SMILES

C(c1ccccc1)N1CCOCCN(Cc2ccccc2)CCOCC1

InChI

InChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-23-11-15-25-17-13-24(14-18-26-16-12-23)20-22-9-5-2-6-10-22/h1-10H,11-20H2

InChI Key

ORNZFALTEDJMDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.798

Water Solubility, LogSw

-2.86

Polar Surface Area

23.660

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

0242-0417 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0242-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0417?
Check Price and Availability of 0242-0417, 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 0242-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0417
  • 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 0242-0417 available by request