8013-2642 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4,5-trimethoxybenzoate

8013-2642 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4,5-trimethoxybenzoate
8013-2642 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2642
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 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

8013-2642

Molecular Formula

C18H15NO7 (C18 H15 NO7)

Compound Name

1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4,5-trimethoxybenzoate

IUPAC name

13-dioxo-23-dihydro-1H-isoindol-2-yl 345-trimethoxybenzoate

SMILES

COc1cc(C(ON(C(c2c3cccc2)=O)C3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C18H15NO7/c1-23-13-8-10(9-14(24-2)15(13)25-3)18(22)26-19-16(20)11-6-4-5-7-12(11)17(19)21/h4-9H,1-3H3

InChI Key

NMLZVVZFHPPTGH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.27

Polar Surface Area

75.370

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8013-2642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2642?
Check Price and Availability of 8013-2642, 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 8013-2642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2642
  • 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 8013-2642 available by request