8017-0397 Screening compound: N~1~-(2,1,3-benzoxadiazol-4-yl)-3-methoxybenzamide

8017-0397 Screening compound: N~1~-(2,1,3-benzoxadiazol-4-yl)-3-methoxybenzamide
8017-0397 Screening compound: N~1~-(2,1,3-benzoxadiazol-4-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0397
N~1~-(2,1,3-benzoxadiazol-4-yl)-3-methoxybenzamide

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

8017-0397

Molecular Formula

C14H11N3O3 (C14 H11 N3 O3)

Compound Name

N~1~-(2,1,3-benzoxadiazol-4-yl)-3-methoxybenzamide

IUPAC name

N-(213-benzoxadiazol-4-yl)-3-methoxybenzamide

SMILES

COc1cccc(C(Nc2cccc3nonc23)=O)c1

InChI

InChI=1S/C14H11N3O3/c1-19-10-5-2-4-9(8-10)14(18)15-11-6-3-7-12-13(11)17-20-16-12/h2-8H,1H3,(H,15,18)

InChI Key

JOEBSIBHOLMJKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.70

Polar Surface Area

66.265

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8017-0397 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0397?
Check Price and Availability of 8017-0397, 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 8017-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0397
  • 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 8017-0397 available by request