3057-0933 Screening compound: 2-ethoxyethyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

3057-0933 Screening compound: 2-ethoxyethyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate
3057-0933 Screening compound: 2-ethoxyethyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-0933
2-ethoxyethyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]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

3057-0933

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

2-ethoxyethyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

IUPAC name

2-ethoxyethyl 3-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

SMILES

CCOCCOC(c1cccc(NC(C(C(C)C)N(C(c2c3cccc2)=O)C3=O)=O)c1)=O

InChI

InChI=1S/C24H26N2O6/c1-4-31-12-13-32-24(30)16-8-7-9-17(14-16)25-21(27)20(15(2)3)26-22(28)18-10-5-6-11-19(18)23(26)29/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,25,27)/t20-/m0/s1

InChI Key

KCEOXZBDNIJELP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01918550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.29

Polar Surface Area

80.840

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3057-0933 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with 3057-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-0933?
Check Price and Availability of 3057-0933, 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 3057-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-0933
  • 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 3057-0933 available by request