3456-3874 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-4-nitrobenzamide

3456-3874 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-4-nitrobenzamide
3456-3874 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-3874
N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-4-nitrobenzamide

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

3456-3874

Molecular Formula

C15H11N5O4 (C15 H11 N5 O4)

Compound Name

N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-4-nitrobenzamide

IUPAC name

N-[(E)-amino[(13-benzoxazol-2-yl)amino]methylidene]-4-nitrobenzamide

SMILES

N/C(/Nc1nc(cccc2)c2o1)=N\C(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C15H11N5O4/c16-14(19-15-17-11-3-1-2-4-12(11)24-15)18-13(21)9-5-7-10(8-6-9)20(22)23/h1-8H,(H3,16,17,18,19,21)

InChI Key

VFINGRIKVYFYFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

-0.137

Water Solubility, LogSw

-3.04

Polar Surface Area

104.143

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3456-3874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-3874?
Check Price and Availability of 3456-3874, 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 3456-3874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-3874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-3874
  • 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 3456-3874 available by request