0931-0462 Screening compound: propyl 2-(3-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate

0931-0462 Screening compound: propyl 2-(3-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
0931-0462 Screening compound: propyl 2-(3-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0931-0462
propyl 2-(3-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate

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

0931-0462

Molecular Formula

C19H17NO4 (C19 H17 NO4)

Compound Name

propyl 2-(3-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate

IUPAC name

propyl 2-(3-methylphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCCOC(c(cc1)cc(C(N2c3cc(C)ccc3)=O)c1C2=O)=O

InChI

InChI=1S/C19H17NO4/c1-3-9-24-19(23)13-7-8-15-16(11-13)18(22)20(17(15)21)14-6-4-5-12(2)10-14/h4-8,10-11H,3,9H2,1-2H3

InChI Key

PGCVTMHTXKOPHE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.33

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 0931-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0931-0462?
Check Price and Availability of 0931-0462, 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 0931-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0931-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0931-0462
  • 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 0931-0462 available by request