D560-0077 Screening compound: 6-benzyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,⁷]trideca-1,3(7),4,8-tetraene

D560-0077 Screening compound: 6-benzyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,⁷]trideca-1,3(7),4,8-tetraene
D560-0077 Screening compound: 6-benzyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,⁷]trideca-1,3(7),4,8-tetraene alternative view

Chemical Structure Depiction of ChemDiv screening compound D560-0077
6-benzyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,⁷]trideca-1,3(7),4,8-tetraene

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

D560-0077

Molecular Formula

C16H14N2O2 (C16 H14 N2 O2)

Compound Name

6-benzyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,⁷]trideca-1,3(7),4,8-tetraene

IUPAC name

6-benzyl-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)247-tetraene

SMILES

C(c1ccccc1)n(cnc1c2)c1cc1c2OCCO1

InChI

InChI=1S/C16H14N2O2/c1-2-4-12(5-3-1)10-18-11-17-13-8-15-16(9-14(13)18)20-7-6-19-15/h1-5,8-9,11H,6-7,10H2

InChI Key

SDHIDDKORZZZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

1.306

Water Solubility, LogSw

-1.90

Polar Surface Area

26.246

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

D560-0077 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D560-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D560-0077?
Check Price and Availability of D560-0077, 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 D560-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D560-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D560-0077
  • 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 D560-0077 available by request