1683-6215 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-methylbenzamide

1683-6215 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-methylbenzamide
1683-6215 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6215
N-(2H-1,3-benzodioxol-5-yl)-4-methylbenzamide

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

1683-6215

Molecular Formula

C15H13NO3 (C15 H13 NO3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-methylbenzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C15H13NO3/c1-10-2-4-11(5-3-10)15(17)16-12-6-7-13-14(8-12)19-9-18-13/h2-8H,9H2,1H3,(H,16,17)

InChI Key

UOPUHWXWLLBPFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.29

Polar Surface Area

40.445

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1683-6215 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1683-6215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6215?
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What is the minimum amount of 1683-6215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6215
  • 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 1683-6215 available by request