1754-0013 Screening compound: 2-(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

1754-0013 Screening compound: 2-(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
1754-0013 Screening compound: 2-(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1754-0013
2-(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

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

1754-0013

Molecular Formula

C15H15NO3 (C15 H15 NO3)

Compound Name

2-(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-methoxyphenyl)-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

COc(cc1)ccc1N(C(C1C2CC=CC1)=O)C2=O

InChI

InChI=1S/C15H15NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-3,6-9,12-13H,4-5H2,1H3

InChI Key

MMHYVLMORSICGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00500908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.037

Distribution Coefficient, logD

2.037

Water Solubility, LogSw

-2.62

Polar Surface Area

36.616

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

1754-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1754-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1754-0013?
Check Price and Availability of 1754-0013, 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 1754-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1754-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1754-0013
  • 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 1754-0013 available by request