K603-0221 Screening compound: 2-(5-chloro-2-hydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

K603-0221 Screening compound: 2-(5-chloro-2-hydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
K603-0221 Screening compound: 2-(5-chloro-2-hydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K603-0221
2-(5-chloro-2-hydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

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

K603-0221

Molecular Formula

C14H12ClNO3 (C14 H12 ClNO3)

Compound Name

2-(5-chloro-2-hydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-(5-chloro-2-hydroxyphenyl)-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

Oc(ccc(Cl)c1)c1N(C(C1C2CC=CC1)=O)C2=O

InChI

InChI=1S/C14H12ClNO3/c15-8-5-6-12(17)11(7-8)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-2,5-7,9-10,17H,3-4H2

InChI Key

NZAXFEBXRNNIOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-2.93

Polar Surface Area

45.319

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K603-0221 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K603-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K603-0221?
Check Price and Availability of K603-0221, 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 K603-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K603-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K603-0221
  • 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 K603-0221 available by request