8009-8587 Screening compound: 2-[(2-chloro-5-nitrobenzoyl)amino]-5-iodobenzoic acid

8009-8587 Screening compound: 2-[(2-chloro-5-nitrobenzoyl)amino]-5-iodobenzoic acid
8009-8587 Screening compound: 2-[(2-chloro-5-nitrobenzoyl)amino]-5-iodobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8587
2-[(2-chloro-5-nitrobenzoyl)amino]-5-iodobenzoic 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

8009-8587

Molecular Formula

C14H8ClIN2O5 (C14 H8 ClIN2 O5)

Compound Name

2-[(2-chloro-5-nitrobenzoyl)amino]-5-iodobenzoic acid

IUPAC name

2-(2-chloro-5-nitrobenzamido)-5-iodobenzoic acid

SMILES

[O-][N+](c(cc1)cc(C(Nc(ccc(I)c2)c2C(O)=O)=O)c1Cl)=O

InChI

InChI=1S/C14H8ClIN2O5/c15-11-3-2-8(18(22)23)6-9(11)13(19)17-12-4-1-7(16)5-10(12)14(20)21/h1-6H,(H,17,19)(H,20,21)

InChI Key

CQTDIYGGEYYEDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

-0.227

Water Solubility, LogSw

-4.75

Polar Surface Area

84.421

Acid Dissociation Constant (pKa)

2.39

Base Dissociation Constant (pKb)

-7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-8587 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-8587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8587?
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What is the minimum amount of 8009-8587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8587
  • 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 8009-8587 available by request