3289-1545 Screening compound: 2-{6-[2-(acetyloxy)ethyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl acetate

3289-1545 Screening compound: 2-{6-[2-(acetyloxy)ethyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl acetate
3289-1545 Screening compound: 2-{6-[2-(acetyloxy)ethyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3289-1545
2-{6-[2-(acetyloxy)ethyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}ethyl acetate

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

3289-1545

Molecular Formula

C18H16N2O8 (C18 H16 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H16N2O8/c1-9(21)27-5-3-19-15(23)11-7-13-14(8-12(11)16(19)24)18(26)20(17(13)25)4-6-28-10(2)22/h7-8H,3-6H2,1-2H3

InChI Key

OPAJQKMVBUYCES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00352552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.33

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.315

Distribution Coefficient, logD

0.315

Water Solubility, LogSw

-1.44

Polar Surface Area

101.543

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-10.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3289-1545 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3289-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-1545?
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What is the minimum amount of 3289-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-1545
  • 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 3289-1545 available by request