3698-0175 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

3698-0175 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
3698-0175 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3698-0175
(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

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

3698-0175

Molecular Formula

C19H12N2O6 (C19 H12 N2 O6)

Compound Name

(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

IUPAC name

(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl 2-(23-dioxo-23-dihydro-1H-indol-1-yl)acetate

SMILES

O=C(CN(c(cccc1)c1C1=O)C1=O)OCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C19H12N2O6/c22-15(9-20-14-8-4-3-7-13(14)16(23)19(20)26)27-10-21-17(24)11-5-1-2-6-12(11)18(21)25/h1-8H,9-10H2

InChI Key

YOGQOWZJTJCTBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.359

Distribution Coefficient, logD

1.359

Water Solubility, LogSw

-2.40

Polar Surface Area

79.388

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3698-0175 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3698-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0175?
Check Price and Availability of 3698-0175, 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 3698-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0175
  • 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 3698-0175 available by request