4061-0056 Screening compound: N'-(4-nitro-2,1,3-benzoxadiazol-5-yl)ethoxycarbohydrazide

4061-0056 Screening compound: N'-(4-nitro-2,1,3-benzoxadiazol-5-yl)ethoxycarbohydrazide
4061-0056 Screening compound: N'-(4-nitro-2,1,3-benzoxadiazol-5-yl)ethoxycarbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0056
N'-(4-nitro-2,1,3-benzoxadiazol-5-yl)ethoxycarbohydrazide

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

4061-0056

Molecular Formula

C9H9N5O5 (C9 H9 N5 O5)

Compound Name

N'-(4-nitro-2,1,3-benzoxadiazol-5-yl)ethoxycarbohydrazide

IUPAC name

N'-(4-nitro-213-benzoxadiazol-5-yl)ethoxycarbohydrazide

SMILES

CCOC(NNc(ccc1nonc11)c1[N+]([O-])=O)=O

InChI

InChI=1S/C9H9N5O5/c1-2-18-9(15)11-10-6-4-3-5-7(13-19-12-5)8(6)14(16)17/h3-4,10H,2H2,1H3,(H,11,15)

InChI Key

MMYGCHWXDWRDHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.34

Polar Surface Area

113.780

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4061-0056 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4061-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0056?
Check Price and Availability of 4061-0056, 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 4061-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0056
  • 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 4061-0056 available by request