3456-3876 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-3-chlorobenzamide

3456-3876 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-3-chlorobenzamide
3456-3876 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-3876
N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-3-chlorobenzamide

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

3456-3876

Molecular Formula

C15H11ClN4O2 (C15 H11 ClN4 O2)

Compound Name

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

IUPAC name

N-[(E)-amino[(13-benzoxazol-2-yl)amino]methylidene]-3-chlorobenzamide

SMILES

N/C(/Nc1nc(cccc2)c2o1)=N\C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C15H11ClN4O2/c16-10-5-3-4-9(8-10)13(21)19-14(17)20-15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H3,17,18,19,20,21)

InChI Key

IYGQNXHHNHZJHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

0.560

Water Solubility, LogSw

-3.55

Polar Surface Area

70.762

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3456-3876 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3456-3876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-3876?
Check Price and Availability of 3456-3876, 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 3456-3876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-3876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-3876
  • 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 3456-3876 available by request