3788-1495 Screening compound: N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

3788-1495 Screening compound: N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
3788-1495 Screening compound: N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-1495
N-[(4-methoxyphenyl)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

3788-1495

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

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

IUPAC name

n/a

SMILES

COc1ccc(CNC(C2Oc(cccc3)c3OC2)=O)cc1

InChI

InChI=1S/C17H17NO4/c1-20-13-8-6-12(7-9-13)10-18-17(19)16-11-21-14-4-2-3-5-15(14)22-16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m0/s1

InChI Key

DZMBWGIDAQHZED-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02232873

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-2.64

Polar Surface Area

47.633

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

3788-1495 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3788-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-1495?
Check Price and Availability of 3788-1495, 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 3788-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-1495
  • 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 3788-1495 available by request