8006-8769 Screening compound: 5-{5-[(4-CARBOXYPHENYL)SULFONYL]-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL}-2-HYDROXYBENZOIC ACID

8006-8769 Screening compound: 5-{5-[(4-CARBOXYPHENYL)SULFONYL]-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL}-2-HYDROXYBENZOIC ACID
8006-8769 Screening compound: 5-{5-[(4-CARBOXYPHENYL)SULFONYL]-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL}-2-HYDROXYBENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8769
5-{5-[(4-CARBOXYPHENYL)SULFONYL]-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL}-2-HYDROXYBENZOIC 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

8006-8769

Molecular Formula

C22H13NO9S (C22 H13 NO9 S)

Compound Name

5-{5-[(4-CARBOXYPHENYL)SULFONYL]-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL}-2-HYDROXYBENZOIC ACID

IUPAC name

n/a

SMILES

OC(c(cc1)ccc1S(c(cc1)cc(C(N2c(cc3)cc(C(O)=O)c3O)=O)c1C2=O)(=O)=O)=O

InChI

InChI=1S/C22H13NO9S/c24-18-8-3-12(9-17(18)22(29)30)23-19(25)15-7-6-14(10-16(15)20(23)26)33(31,32)13-4-1-11(2-5-13)21(27)28/h1-10,24H,(H,27,28)(H,29,30)

InChI Key

FZEPBVYKYHUQSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00315637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.41

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

0.549

Water Solubility, LogSw

-3.61

Polar Surface Area

131.745

Acid Dissociation Constant (pKa)

4.08

Base Dissociation Constant (pKb)

-7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8006-8769 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-8769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8769?
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What is the minimum amount of 8006-8769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8769
  • 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 8006-8769 available by request