0668-0349 Screening compound: methyl 4-[5-(3-aminophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

0668-0349 Screening compound: methyl 4-[5-(3-aminophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate
0668-0349 Screening compound: methyl 4-[5-(3-aminophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0668-0349
methyl 4-[5-(3-aminophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

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

0668-0349

Molecular Formula

C22H16N2O5 (C22 H16 N2 O5)

Compound Name

methyl 4-[5-(3-aminophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

IUPAC name

methyl 4-[5-(3-aminophenoxy)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoate

SMILES

COC(c(cc1)ccc1N(C(c(cc1)c2cc1Oc1cc(N)ccc1)=O)C2=O)=O

InChI

InChI=1S/C22H16N2O5/c1-28-22(27)13-5-7-15(8-6-13)24-20(25)18-10-9-17(12-19(18)21(24)26)29-16-4-2-3-14(23)11-16/h2-12H,23H2,1H3

InChI Key

UWQQXVUWTKJRQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00339817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.84

Polar Surface Area

77.607

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 0668-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0668-0349?
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What is the minimum amount of 0668-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0668-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0668-0349
  • 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 0668-0349 available by request