1896-0197 Screening compound: 2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]acetamide

1896-0197 Screening compound: 2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]acetamide
1896-0197 Screening compound: 2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1896-0197
2-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]acetamide

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

1896-0197

Molecular Formula

C14H12N6O5 (C14 H12 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

NC(CN(c1cc([N+]([O-])=O)ccc1)/N=N/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C14H12N6O5/c15-14(21)9-18(11-4-2-6-13(8-11)20(24)25)17-16-10-3-1-5-12(7-10)19(22)23/h1-8H,9H2,(H2,15,21)

InChI Key

XYMKVTMOAYFVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.29

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.68

Polar Surface Area

123.522

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1896-0197 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1896-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1896-0197?
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What is the minimum amount of 1896-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1896-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1896-0197
  • 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 1896-0197 available by request