4477-1338 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-nitrobenzamide

4477-1338 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-nitrobenzamide
4477-1338 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1338
N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-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

4477-1338

Molecular Formula

C15H11N5O4 (C15 H11 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

N/C(/Nc1nc(cccc2)c2o1)=N\C(c(cccc1)c1[N+]([O-])=O)=O

InChI

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

InChI Key

BLPPJXNRRZOTHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796078

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

1.984

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-2.79

Polar Surface Area

103.843

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4477-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1338?
Check Price and Availability of 4477-1338, 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 4477-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1338
  • 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 4477-1338 available by request