8019-9100 Screening compound: 1,6-diethyl (3Z)-3-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-4-oxohexanedioate

8019-9100 Screening compound: 1,6-diethyl (3Z)-3-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-4-oxohexanedioate
8019-9100 Screening compound: 1,6-diethyl (3Z)-3-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-4-oxohexanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9100
1,6-diethyl (3Z)-3-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-4-oxohexanedioate

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

8019-9100

Molecular Formula

C16H18N4O9 (C16 H18 N4 O9)

Compound Name

1,6-diethyl (3Z)-3-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-4-oxohexanedioate

IUPAC name

16-diethyl (3Z)-3-[2-(24-dinitrophenyl)hydrazin-1-ylidene]-4-oxohexanedioate

SMILES

CCOC(C/C(/C(CC(OCC)=O)=O)=N/Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C16H18N4O9/c1-3-28-15(22)8-12(14(21)9-16(23)29-4-2)18-17-11-6-5-10(19(24)25)7-13(11)20(26)27/h5-7,17H,3-4,8-9H2,1-2H3

InChI Key

CYFGXJOITYQGDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.34

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.010

Water Solubility, LogSw

-2.94

Polar Surface Area

140.575

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8019-9100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9100?
Check Price and Availability of 8019-9100, 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 8019-9100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9100
  • 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 8019-9100 available by request