2922-0345 Screening compound: 2-{1,3,5,7-tetraoxo-6-[2-(propanoyloxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl propanoate

2922-0345 Screening compound: 2-{1,3,5,7-tetraoxo-6-[2-(propanoyloxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl propanoate
2922-0345 Screening compound: 2-{1,3,5,7-tetraoxo-6-[2-(propanoyloxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-0345
2-{1,3,5,7-tetraoxo-6-[2-(propanoyloxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl propanoate

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

2922-0345

Molecular Formula

C20H20N2O8 (C20 H20 N2 O8)

Compound Name

2-{1,3,5,7-tetraoxo-6-[2-(propanoyloxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl propanoate

IUPAC name

2-{1357-tetraoxo-6-[2-(propanoyloxy)ethyl]-1H2H3H5H6H7H-pyrrolo[34-f]isoindol-2-yl}ethyl propanoate

SMILES

CCC(OCCN(C(c(c1c2)cc(C(N3CCOC(CC)=O)=O)c2C3=O)=O)C1=O)=O

InChI

InChI=1S/C20H20N2O8/c1-3-15(23)29-7-5-21-17(25)11-9-13-14(10-12(11)18(21)26)20(28)22(19(13)27)6-8-30-16(24)4-2/h9-10H,3-8H2,1-2H3

InChI Key

AATHMCGKYVGPJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01005752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.39

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-1.68

Polar Surface Area

100.150

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

-10.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

2922-0345 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2922-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-0345?
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What is the minimum amount of 2922-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-0345
  • 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 2922-0345 available by request