C301-1195 Screening compound: N-(3-benzamidophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

C301-1195 Screening compound: N-(3-benzamidophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
C301-1195 Screening compound: N-(3-benzamidophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1195
N-(3-benzamidophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

C301-1195

Molecular Formula

C22H18N2O4 (C22 H18 N2 O4)

Compound Name

N-(3-benzamidophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-(3-benzamidophenyl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc1cccc(NC(c2ccccc2)=O)c1

InChI

InChI=1S/C22H18N2O4/c25-21(15-7-2-1-3-8-15)23-16-9-6-10-17(13-16)24-22(26)20-14-27-18-11-4-5-12-19(18)28-20/h1-13,20H,14H2,(H,23,25)(H,24,26)/t20-/m0/s1

InChI Key

FGNXYOXUHYTXEJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14742134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-3.77

Polar Surface Area

61.858

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-1195 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C301-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1195?
Check Price and Availability of C301-1195, 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 C301-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1195
  • 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 C301-1195 available by request