K603-0441 Screening compound: 4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

K603-0441 Screening compound: 4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
K603-0441 Screening compound: 4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K603-0441
4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-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

K603-0441

Molecular Formula

C15H14ClNO3 (C15 H14 ClNO3)

Compound Name

4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

IUPAC name

4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.0^{26}]decane-35-dione

SMILES

Oc(ccc(Cl)c1)c1N(C(C1C2C3CC1CC3)=O)C2=O

InChI

InChI=1S/C15H14ClNO3/c16-9-3-4-11(18)10(6-9)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h3-4,6-8,12-13,18H,1-2,5H2

InChI Key

MXPBHUCQVHYQAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.73

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

2.137

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.62

Polar Surface Area

45.972

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

46.70

K603-0441 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K603-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K603-0441?
Check Price and Availability of K603-0441, 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 K603-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K603-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K603-0441
  • 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 K603-0441 available by request