8008-7969 Screening compound: 2-{[3-[(2-carboxy-4-hydroxyanilino)carbonyl]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}-5-hydroxybenzoic acid

8008-7969 Screening compound: 2-{[3-[(2-carboxy-4-hydroxyanilino)carbonyl]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}-5-hydroxybenzoic acid
8008-7969 Screening compound: 2-{[3-[(2-carboxy-4-hydroxyanilino)carbonyl]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}-5-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7969
2-{[3-[(2-carboxy-4-hydroxyanilino)carbonyl]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}-5-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

8008-7969

Molecular Formula

C30H19N3O10 (C30 H19 N3 O10)

Compound Name

2-{[3-[(2-carboxy-4-hydroxyanilino)carbonyl]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}-5-hydroxybenzoic acid

IUPAC name

2-{3-[(2-carboxy-4-hydroxyphenyl)carbamoyl]-5-(13-dioxo-23-dihydro-1H-isoindol-2-yl)benzamido}-5-hydroxybenzoic acid

SMILES

OC(c(cc(cc1)O)c1NC(c1cc(N(C(c2c3cccc2)=O)C3=O)cc(C(Nc(ccc(O)c2)c2C(O)=O)=O)c1)=O)=O

InChI

InChI=1S/C30H19N3O10/c34-17-5-7-23(21(12-17)29(40)41)31-25(36)14-9-15(26(37)32-24-8-6-18(35)13-22(24)30(42)43)11-16(10-14)33-27(38)19-3-1-2-4-20(19)28(33)39/h1-13,34-35H,(H,31,36)(H,32,37)(H,40,41)(H,42,43)

InChI Key

JXAJISLVHPOGHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.5

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

-0.849

Water Solubility, LogSw

-4.11

Polar Surface Area

165.717

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-7969 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8008-7969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7969?
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What is the minimum amount of 8008-7969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7969
  • 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 8008-7969 available by request