0627-0256 Screening compound: heptyl 4-[5-(2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

0627-0256 Screening compound: heptyl 4-[5-(2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate
0627-0256 Screening compound: heptyl 4-[5-(2-{4-[(heptyloxy)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 0627-0256
heptyl 4-[5-(2-{4-[(heptyloxy)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

0627-0256

Molecular Formula

C45H44N2O9 (C45 H44 N2 O9)

Compound Name

heptyl 4-[5-(2-{4-[(heptyloxy)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

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

SMILES

CCCCCCCOC(c(cc1)ccc1N(C(c(cc1)c2cc1C(c(cc1)cc(C(N3c(cc4)ccc4C(OCCCCCCC)=O)=O)c1C3=O)=O)=O)C2=O)=O

InChI

InChI=1S/C45H44N2O9/c1-3-5-7-9-11-25-55-44(53)29-13-19-33(20-14-29)46-40(49)35-23-17-31(27-37(35)42(46)51)39(48)32-18-24-36-38(28-32)43(52)47(41(36)50)34-21-15-30(16-22-34)45(54)56-26-12-10-8-6-4-2/h13-24,27-28H,3-12,25-26H2,1-2H3

InChI Key

CTFVNJCASHPIBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

756.85

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

11.366

Distribution Coefficient, logD

11.366

Water Solubility, LogSw

-5.78

Polar Surface Area

113.084

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

-9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.10

0627-0256 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 0627-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0256?
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What is the minimum amount of 0627-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0256
  • 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 0627-0256 available by request