1896-0163 Screening compound: 4-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile

1896-0163 Screening compound: 4-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile
1896-0163 Screening compound: 4-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1896-0163
4-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile

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

1896-0163

Molecular Formula

C16H14N6O4 (C16 H14 N6 O4)

Compound Name

4-[(2E)-1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile

IUPAC name

4-[(2E)-13-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile

SMILES

N#CCCCN(c1cc([N+]([O-])=O)ccc1)/N=N/c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C16H14N6O4/c17-9-1-2-10-20(14-6-4-8-16(12-14)22(25)26)19-18-13-5-3-7-15(11-13)21(23)24/h3-8,11-12H,1-2,10H2

InChI Key

RKACDZJGVYAMQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.24

Polar Surface Area

107.604

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 1896-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1896-0163?
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What is the minimum amount of 1896-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1896-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1896-0163
  • 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 1896-0163 available by request