0890-0013 Screening compound: 3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine

0890-0013 Screening compound: 3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine
0890-0013 Screening compound: 3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0890-0013
3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine

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

0890-0013

Molecular Formula

C16H16N4O2 (C16 H16 N4 O2)

Compound Name

3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine

IUPAC name

36-bis(phenoxymethyl)-12-dihydro-1245-tetrazine

SMILES

C(C1=NN=C(COc2ccccc2)NN1)Oc1ccccc1

InChI

InChI=1S/C16H16N4O2/c1-3-7-13(8-4-1)21-11-15-17-19-16(20-18-15)12-22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)(H,19,20)

InChI Key

PKIKZJZYXDNLCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-2.90

Polar Surface Area

64.678

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0890-0013 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0890-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0890-0013?
Check Price and Availability of 0890-0013, 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 0890-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0890-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0890-0013
  • 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 0890-0013 available by request