0781-2419 Screening compound: butyl 4-{5-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]furan-2-yl}benzoate

0781-2419 Screening compound: butyl 4-{5-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]furan-2-yl}benzoate
0781-2419 Screening compound: butyl 4-{5-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2419
butyl 4-{5-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]furan-2-yl}benzoate

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

0781-2419

Molecular Formula

C22H20N4O7 (C22 H20 N4 O7)

Compound Name

butyl 4-{5-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]furan-2-yl}benzoate

IUPAC name

butyl 4-{5-[(E)-[2-(24-dinitrophenyl)hydrazin-1-ylidene]methyl]furan-2-yl}benzoate

SMILES

CCCCOC(c(cc1)ccc1-c1ccc(/C=N/Nc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C22H20N4O7/c1-2-3-12-32-22(27)16-6-4-15(5-7-16)21-11-9-18(33-21)14-23-24-19-10-8-17(25(28)29)13-20(19)26(30)31/h4-11,13-14,24H,2-3,12H2,1H3

InChI Key

QCNQARMQFOVMOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00319776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.842

Distribution Coefficient, logD

6.841

Water Solubility, LogSw

-5.63

Polar Surface Area

115.757

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0781-2419 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0781-2419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2419?
Check Price and Availability of 0781-2419, 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 0781-2419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2419
  • 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 0781-2419 available by request