1683-0610 Screening compound: 2,4-diethyl 5-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate

1683-0610 Screening compound: 2,4-diethyl 5-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate
1683-0610 Screening compound: 2,4-diethyl 5-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0610
2,4-diethyl 5-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate

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

1683-0610

Molecular Formula

C22H22N2O7S (C22 H22 N2 O7 S)

Compound Name

2,4-diethyl 5-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CCN(C(c2c3cccc2)=O)C3=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C22H22N2O7S/c1-4-30-21(28)16-12(3)17(22(29)31-5-2)32-18(16)23-15(25)10-11-24-19(26)13-8-6-7-9-14(13)20(24)27/h6-9H,4-5,10-11H2,1-3H3,(H,23,25)

InChI Key

HRORPTLYMJBHQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

0.340

Water Solubility, LogSw

-3.42

Polar Surface Area

93.921

Acid Dissociation Constant (pKa)

4.92

Base Dissociation Constant (pKb)

-7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

1683-0610 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 1683-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0610?
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What is the minimum amount of 1683-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0610
  • 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 1683-0610 available by request