8006-8770 Screening compound: 5-[4-(4-carboxybenzoyl)-6-(3,5-dicarboxyphenyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl]isophthalic acid

8006-8770 Screening compound: 5-[4-(4-carboxybenzoyl)-6-(3,5-dicarboxyphenyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl]isophthalic acid
8006-8770 Screening compound: 5-[4-(4-carboxybenzoyl)-6-(3,5-dicarboxyphenyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl]isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8770
5-[4-(4-carboxybenzoyl)-6-(3,5-dicarboxyphenyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl]isophthalic acid

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

8006-8770

Molecular Formula

C34H16N2O15 (C34 H16 N2 O15)

Compound Name

5-[4-(4-carboxybenzoyl)-6-(3,5-dicarboxyphenyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl]isophthalic acid

IUPAC name

5-[4-(4-carboxybenzoyl)-6-(35-dicarboxyphenyl)-1357-tetraoxo-1H2H3H5H6H7H-pyrrolo[34-f]isoindol-2-yl]benzene-13-dicarboxylic acid

SMILES

OC(c(cc1)ccc1C(c(c(C(N1c2cc(C(O)=O)cc(C(O)=O)c2)=O)c(cc2C(N3c4cc(C(O)=O)cc(C(O)=O)c4)=O)C1=O)c2C3=O)=O)=O

InChI

InChI=1S/C34H16N2O15/c37-25(12-1-3-13(4-2-12)30(42)43)24-22-20(26(38)35(28(22)40)18-7-14(31(44)45)5-15(8-18)32(46)47)11-21-23(24)29(41)36(27(21)39)19-9-16(33(48)49)6-17(10-19)34(50)51/h1-11H,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)

InChI Key

IPONLUHEKMCSNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00779312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

692.51

Hydrogen Bond Acceptors Count

25.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

17

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

-0.569

Water Solubility, LogSw

-3.26

Polar Surface Area

213.029

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-15.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-8770 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-8770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8770?
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What is the minimum amount of 8006-8770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8770
  • 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 8006-8770 available by request