4055-0116 Screening compound: N~2~-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide

4055-0116 Screening compound: N~2~-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
4055-0116 Screening compound: N~2~-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4055-0116
N~2~-(4-methoxyphenyl)-3-methyl-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

4055-0116

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

N~2~-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-(4-methoxyphenyl)-3-methyl-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

CC1Oc(cccc2)c2OC1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C17H17NO4/c1-11-16(22-15-6-4-3-5-14(15)21-11)17(19)18-12-7-9-13(20-2)10-8-12/h3-11,16H,1-2H3,(H,18,19)

InChI Key

UJTYNKWYFRTRFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02320457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-3.50

Polar Surface Area

46.208

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.53

4055-0116 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4055-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4055-0116?
Check Price and Availability of 4055-0116, 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 4055-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4055-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4055-0116
  • 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 4055-0116 available by request