8005-7012 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

8005-7012 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate
8005-7012 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7012
4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

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

8005-7012

Molecular Formula

C27H26N2O9 (C27 H26 N2 O9)

Compound Name

4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

IUPAC name

4-[(E)-{[(23-dihydro-14-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 345-trimethoxybenzoate

SMILES

COc(cc(/C=N/NC(c(cc1)cc2c1OCCO2)=O)cc1)c1OC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C27H26N2O9/c1-32-21-11-16(15-28-29-26(30)17-6-8-19-22(12-17)37-10-9-36-19)5-7-20(21)38-27(31)18-13-23(33-2)25(35-4)24(14-18)34-3/h5-8,11-15H,9-10H2,1-4H3,(H,29,30)

InChI Key

MBJRDBHGAPXABO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.21

Polar Surface Area

102.450

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8005-7012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7012?
Check Price and Availability of 8005-7012, 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 8005-7012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7012
  • 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 8005-7012 available by request