8004-5742 Screening compound: 2-[(4-{4-[(2-carboxy-4-hydroxyanilino)carbonyl]phenoxy}benzoyl)amino]-5-hydroxybenzoic acid

8004-5742 Screening compound: 2-[(4-{4-[(2-carboxy-4-hydroxyanilino)carbonyl]phenoxy}benzoyl)amino]-5-hydroxybenzoic acid
8004-5742 Screening compound: 2-[(4-{4-[(2-carboxy-4-hydroxyanilino)carbonyl]phenoxy}benzoyl)amino]-5-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5742
2-[(4-{4-[(2-carboxy-4-hydroxyanilino)carbonyl]phenoxy}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

8004-5742

Molecular Formula

C28H20N2O9 (C28 H20 N2 O9)

Compound Name

2-[(4-{4-[(2-carboxy-4-hydroxyanilino)carbonyl]phenoxy}benzoyl)amino]-5-hydroxybenzoic acid

IUPAC name

2-(4-{4-[(2-carboxy-4-hydroxyphenyl)carbamoyl]phenoxy}benzamido)-5-hydroxybenzoic acid

SMILES

OC(c(cc(cc1)O)c1NC(c(cc1)ccc1Oc(cc1)ccc1C(Nc(ccc(O)c1)c1C(O)=O)=O)=O)=O

InChI

InChI=1S/C28H20N2O9/c31-17-5-11-23(21(13-17)27(35)36)29-25(33)15-1-7-19(8-2-15)39-20-9-3-16(4-10-20)26(34)30-24-12-6-18(32)14-22(24)28(37)38/h1-14,31-32H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)

InChI Key

MLYFPHZBLPUJRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

-0.311

Water Solubility, LogSw

-4.25

Polar Surface Area

143.823

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-5742 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8004-5742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5742?
Check Price and Availability of 8004-5742, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-5742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5742
  • 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 8004-5742 available by request