1351-0003 Screening compound: N-nitro-N'-[(E)-[(4-nitrophenyl)methylidene]amino]guanidine

1351-0003 Screening compound: N-nitro-N'-[(E)-[(4-nitrophenyl)methylidene]amino]guanidine
1351-0003 Screening compound: N-nitro-N'-[(E)-[(4-nitrophenyl)methylidene]amino]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1351-0003
N-nitro-N'-[(E)-[(4-nitrophenyl)methylidene]amino]guanidine

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

1351-0003

Molecular Formula

C8H8N6O4 (C8 H8 N6 O4)

Compound Name

N-nitro-N'-[(E)-[(4-nitrophenyl)methylidene]amino]guanidine

IUPAC name

N-nitro-N'-[(E)-[(4-nitrophenyl)methylidene]amino]guanidine

SMILES

N=C(N/N=C/c(cc1)ccc1[N+]([O-])=O)N[N+]([O-])=O

InChI

InChI=1S/C8H8N6O4/c9-8(12-14(17)18)11-10-5-6-1-3-7(4-2-6)13(15)16/h1-5H,(H3,9,11,12)

InChI Key

MRHMIOZFOCDMGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.639

Distribution Coefficient, logD

0.639

Water Solubility, LogSw

-1.96

Polar Surface Area

121.917

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1351-0003 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1351-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1351-0003?
Check Price and Availability of 1351-0003, 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 1351-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1351-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1351-0003
  • 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 1351-0003 available by request