1896-0168 Screening compound: 2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]ethan-1-ol

1896-0168 Screening compound: 2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]ethan-1-ol
1896-0168 Screening compound: 2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1896-0168
2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]ethan-1-ol

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

1896-0168

Molecular Formula

C14H13N5O5 (C14 H13 N5 O5)

Compound Name

2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]ethan-1-ol

IUPAC name

2-[(2E)-13-bis(3-nitrophenyl)triaz-2-en-1-yl]ethan-1-ol

SMILES

[O-][N+](c1cccc(N(CCO)/N=N/c2cccc([N+]([O-])=O)c2)c1)=O

InChI

InChI=1S/C14H13N5O5/c20-8-7-17(12-4-2-6-14(10-12)19(23)24)16-15-11-3-1-5-13(9-11)18(21)22/h1-6,9-10,20H,7-8H2

InChI Key

ZVOPJDWEKZVJSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-3.12

Polar Surface Area

106.768

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1896-0168 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1896-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1896-0168?
Check Price and Availability of 1896-0168, 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 1896-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1896-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1896-0168
  • 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 1896-0168 available by request