0599-0788 Screening compound: N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxy-3,5-diiodobenzamide

0599-0788 Screening compound: N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxy-3,5-diiodobenzamide
0599-0788 Screening compound: N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxy-3,5-diiodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0599-0788
N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxy-3,5-diiodobenzamide

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

0599-0788

Molecular Formula

C23H13Cl2I2NO3 (C23 H13 Cl2 I2 NO3)

Compound Name

N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxy-3,5-diiodobenzamide

IUPAC name

N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxy-35-diiodobenzamide

SMILES

Oc(c(C(Nc(cc(cc1)Cl)c1Oc(c1ccccc11)ccc1Cl)=O)cc(I)c1)c1I

InChI

InChI=1S/C23H13Cl2I2NO3/c24-12-5-7-21(31-20-8-6-17(25)14-3-1-2-4-15(14)20)19(9-12)28-23(30)16-10-13(26)11-18(27)22(16)29/h1-11,29H,(H,28,30)

InChI Key

PTIXJNCZRFOXHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.324

Distribution Coefficient, logD

8.238

Water Solubility, LogSw

-6.36

Polar Surface Area

44.760

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0599-0788 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 0599-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0599-0788?
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What is the minimum amount of 0599-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0599-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0599-0788
  • 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 0599-0788 available by request