8016-5578 Screening compound: N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide

8016-5578 Screening compound: N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide
8016-5578 Screening compound: N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5578
N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-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

8016-5578

Molecular Formula

C16H12ClNO4 (C16 H12 ClNO4)

Compound Name

N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-chlorobenzamide

IUPAC name

N-(6-acetyl-2H-13-benzodioxol-5-yl)-3-chlorobenzamide

SMILES

CC(c(cc1OCOc1c1)c1NC(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C16H12ClNO4/c1-9(19)12-6-14-15(22-8-21-14)7-13(12)18-16(20)10-3-2-4-11(17)5-10/h2-7H,8H2,1H3,(H,18,20)

InChI Key

FUDIUSZPIIGNBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03787182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-3.66

Polar Surface Area

53.574

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-5578 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-5578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5578?
Check Price and Availability of 8016-5578, 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 8016-5578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5578
  • 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 8016-5578 available by request