4576-0076 Screening compound: 4,6-bis(ethylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-1,3,5-triazine-2-carbohydrazide

4576-0076 Screening compound: 4,6-bis(ethylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-1,3,5-triazine-2-carbohydrazide
4576-0076 Screening compound: 4,6-bis(ethylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-1,3,5-triazine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0076
4,6-bis(ethylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-1,3,5-triazine-2-carbohydrazide

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

4576-0076

Molecular Formula

C13H16N8O4 (C13 H16 N8 O4)

Compound Name

4,6-bis(ethylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-1,3,5-triazine-2-carbohydrazide

IUPAC name

46-bis(ethylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-135-triazine-2-carbohydrazide

SMILES

CCNc1nc(C(N/N=C/c2ccc([N+]([O-])=O)o2)=O)nc(NCC)n1

InChI

InChI=1S/C13H16N8O4/c1-3-14-12-17-10(18-13(19-12)15-4-2)11(22)20-16-7-8-5-6-9(25-8)21(23)24/h5-7H,3-4H2,1-2H3,(H,20,22)(H2,14,15,17,18,19)

InChI Key

MMPPPPNLTCNUPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.70

Polar Surface Area

129.784

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4576-0076 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4576-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0076?
Check Price and Availability of 4576-0076, 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 4576-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0076
  • 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 4576-0076 available by request