8006-7791 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3,4,5-trimethoxybenzoate

8006-7791 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3,4,5-trimethoxybenzoate
8006-7791 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7791
4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 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

8006-7791

Molecular Formula

C31H28N2O7 (C31 H28 N2 O7)

Compound Name

4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

4-[(E)-[(2-hydroxy-22-diphenylacetamido)imino]methyl]phenyl 345-trimethoxybenzoate

SMILES

COc1cc(C(Oc2ccc(/C=N/NC(C(c3ccccc3)(c3ccccc3)O)=O)cc2)=O)cc(OC)c1OC

InChI

InChI=1S/C31H28N2O7/c1-37-26-18-22(19-27(38-2)28(26)39-3)29(34)40-25-16-14-21(15-17-25)20-32-33-30(35)31(36,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-20,36H,1-3H3,(H,33,35)

InChI Key

OFYQKNUAWKDGPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00305664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.31

Polar Surface Area

93.707

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with 8006-7791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7791?
Check Price and Availability of 8006-7791, 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 8006-7791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7791
  • 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 8006-7791 available by request