8004-8705 Screening compound: 4-benzoyl-2,6-bis({2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl})-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

8004-8705 Screening compound: 4-benzoyl-2,6-bis({2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl})-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
8004-8705 Screening compound: 4-benzoyl-2,6-bis({2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl})-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8705
4-benzoyl-2,6-bis({2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl})-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

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

8004-8705

Molecular Formula

C45H20N2O13 (C45 H20 N2 O13)

Compound Name

4-benzoyl-2,6-bis({2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl})-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

IUPAC name

4-benzoyl-26-bis({2-[(13-dioxo-13-dihydro-2-benzofuran-5-yl)oxy]phenyl})-1H2H3H5H6H7H-pyrrolo[34-f]isoindole-1357-tetrone

SMILES

O=C(c1ccccc1)c(c(C(N1c(cccc2)c2Oc(cc2)cc(C(O3)=O)c2C3=O)=O)c(cc2C(N3c(cccc4)c4Oc(cc4)cc(C(O5)=O)c4C5=O)=O)C1=O)c2C3=O

InChI

InChI=1S/C45H20N2O13/c48-37(21-8-2-1-3-9-21)36-34-28(38(49)46(40(34)51)30-10-4-6-12-32(30)57-22-14-16-24-26(18-22)44(55)59-42(24)53)20-29-35(36)41(52)47(39(29)50)31-11-5-7-13-33(31)58-23-15-17-25-27(19-23)45(56)60-43(25)54/h1-20H

InChI Key

IFKAKPQFTZQQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

796.66

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.66

Polar Surface Area

154.304

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-13.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-8705 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8004-8705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8705?
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What is the minimum amount of 8004-8705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8705
  • 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 8004-8705 available by request