Y030-9652 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide

Y030-9652 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
Y030-9652 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9652
N-(2H-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide

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

Y030-9652

Molecular Formula

C20H23NO6 (C20 H23 NO6)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(cc2)cc3c2OCO3)=O)cc(OCC)c1OCC

InChI

InChI=1S/C20H23NO6/c1-4-23-17-9-13(10-18(24-5-2)19(17)25-6-3)20(22)21-14-7-8-15-16(11-14)27-12-26-15/h7-11H,4-6,12H2,1-3H3,(H,21,22)

InChI Key

BBLDIZZVDHHLNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01339145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.67

Polar Surface Area

62.162

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with Y030-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9652?
Check Price and Availability of Y030-9652, 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 Y030-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9652
  • 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 Y030-9652 available by request