4483-0837 Screening compound: butyl 2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

4483-0837 Screening compound: butyl 2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
4483-0837 Screening compound: butyl 2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-0837
butyl 2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

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

4483-0837

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

butyl 2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

butyl 2-(34-dimethylphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCCCOC(c(cc1)cc(C(N2c3cc(C)c(C)cc3)=O)c1C2=O)=O

InChI

InChI=1S/C21H21NO4/c1-4-5-10-26-21(25)15-7-9-17-18(12-15)20(24)22(19(17)23)16-8-6-13(2)14(3)11-16/h6-9,11-12H,4-5,10H2,1-3H3

InChI Key

WFZLWCKJBYMTBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.39

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4483-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-0837?
Check Price and Availability of 4483-0837, 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 4483-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-0837
  • 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 4483-0837 available by request