K603-0136 Screening compound: 4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K603-0136 Screening compound: 4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K603-0136 Screening compound: 4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K603-0136
4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-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

K603-0136

Molecular Formula

C16H14BrNO2 (C16 H14 BrNO2)

Compound Name

4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

Cc(cc(cc1)N(C(C2C3C4C=CC2C4)=O)C3=O)c1Br

InChI

InChI=1S/C16H14BrNO2/c1-8-6-11(4-5-12(8)17)18-15(19)13-9-2-3-10(7-9)14(13)16(18)20/h2-6,9-10,13-14H,7H2,1H3

InChI Key

OKWADUGBVLWSTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-2.99

Polar Surface Area

29.725

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

K603-0136 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Human Receptors Annotated Library (5376 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K603-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K603-0136?
Check Price and Availability of K603-0136, 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 K603-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K603-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K603-0136
  • 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 K603-0136 available by request