3952-1055 Screening compound: 4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyloxy}phenyl 1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxylate

3952-1055 Screening compound: 4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyloxy}phenyl 1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxylate
3952-1055 Screening compound: 4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyloxy}phenyl 1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-1055
4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyloxy}phenyl 1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxylate

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

3952-1055

Molecular Formula

C34H28N2O10 (C34 H28 N2 O10)

Compound Name

4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyloxy}phenyl 1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

4-{13-dioxo-2-[(oxolan-2-yl)methyl]-23-dihydro-1H-isoindole-5-carbonyloxy}phenyl 13-dioxo-2-[(oxolan-2-yl)methyl]-23-dihydro-1H-isoindole-5-carboxylate

SMILES

O=C(c(cc1)cc(C(N2CC3OCCC3)=O)c1C2=O)Oc(cc1)ccc1OC(c(cc1)cc(C(N2CC3OCCC3)=O)c1C2=O)=O

InChI

InChI=1S/C34H28N2O10/c37-29-25-11-5-19(15-27(25)31(39)35(29)17-23-3-1-13-43-23)33(41)45-21-7-9-22(10-8-21)46-34(42)20-6-12-26-28(16-20)32(40)36(30(26)38)18-24-4-2-14-44-24/h5-12,15-16,23-24H,1-4,13-14,17-18H2

InChI Key

PUBYBTBXORWTGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.6

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.43

Polar Surface Area

116.809

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-9.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

3952-1055 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3952-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-1055?
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What is the minimum amount of 3952-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-1055
  • 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 3952-1055 available by request