8005-3682 Screening compound: octyl 4-[5-(2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

8005-3682 Screening compound: octyl 4-[5-(2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate
8005-3682 Screening compound: octyl 4-[5-(2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3682
octyl 4-[5-(2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]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

8005-3682

Molecular Formula

C47H48N2O9 (C47 H48 N2 O9)

Compound Name

octyl 4-[5-(2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

IUPAC name

octyl 4-[5-(2-{4-[(octyloxy)carbonyl]phenyl}-13-dioxo-23-dihydro-1H-isoindole-5-carbonyl)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoate

SMILES

CCCCCCCCOC(c(cc1)ccc1N(C(c(cc1)c2cc1C(c(cc1)cc(C(N3c(cc4)ccc4C(OCCCCCCCC)=O)=O)c1C3=O)=O)=O)C2=O)=O

InChI

InChI=1S/C47H48N2O9/c1-3-5-7-9-11-13-27-57-46(55)31-15-21-35(22-16-31)48-42(51)37-25-19-33(29-39(37)44(48)53)41(50)34-20-26-38-40(30-34)45(54)49(43(38)52)36-23-17-32(18-24-36)47(56)58-28-14-12-10-8-6-4-2/h15-26,29-30H,3-14,27-28H2,1-2H3

InChI Key

LSYUKGGTCFXGRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

784.91

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

12.358

Distribution Coefficient, logD

12.358

Water Solubility, LogSw

-5.78

Polar Surface Area

113.084

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.00

8005-3682 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-3682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3682?
Check Price and Availability of 8005-3682, 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 8005-3682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3682
  • 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 8005-3682 available by request