3289-8846 Screening compound: 3-{6-[3-(acetyloxy)propyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}propyl acetate

3289-8846 Screening compound: 3-{6-[3-(acetyloxy)propyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}propyl acetate
3289-8846 Screening compound: 3-{6-[3-(acetyloxy)propyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}propyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3289-8846
3-{6-[3-(acetyloxy)propyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}propyl 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

3289-8846

Molecular Formula

C20H20N2O8 (C20 H20 N2 O8)

Compound Name

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

IUPAC name

3-{6-[3-(acetyloxy)propyl]-1357-tetraoxo-1H2H3H5H6H7H-pyrrolo[34-f]isoindol-2-yl}propyl acetate

SMILES

CC(OCCCN(C(c(c1c2)cc(C(N3CCCOC(C)=O)=O)c2C3=O)=O)C1=O)=O

InChI

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

InChI Key

PPOBWABBPYVIQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018109

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

1.041

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-1.59

Polar Surface Area

101.543

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-9.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3289-8846 in Drug Discovery

Included in Screening Libraries

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 3289-8846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-8846?
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What is the minimum amount of 3289-8846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-8846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-8846
  • 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 3289-8846 available by request