6148-0013 Screening compound: methyl 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-methylpropanoate

6148-0013 Screening compound: methyl 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-methylpropanoate
6148-0013 Screening compound: methyl 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6148-0013
methyl 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-methylpropanoate

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

6148-0013

Molecular Formula

C13H13NO5 (C13 H13 NO5)

Compound Name

methyl 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-methylpropanoate

IUPAC name

methyl 2-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)oxy]-2-methylpropanoate

SMILES

CC(C)(C(OC)=O)ON(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C13H13NO5/c1-13(2,12(17)18-3)19-14-10(15)8-6-4-5-7-9(8)11(14)16/h4-7H,1-3H3

InChI Key

QWDDJKIVBMVIKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00818078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-2.59

Polar Surface Area

59.408

Acid Dissociation Constant (pKa)

30.60

Base Dissociation Constant (pKb)

-11.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

6148-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 6148-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6148-0013?
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What is the minimum amount of 6148-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6148-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6148-0013
  • 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 6148-0013 available by request