K655-0282 Screening compound: 4-(4-chloro-3-{[4-(4-methoxyphenyl)piperazino]carbonyl}phenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

K655-0282 Screening compound: 4-(4-chloro-3-{[4-(4-methoxyphenyl)piperazino]carbonyl}phenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
K655-0282 Screening compound: 4-(4-chloro-3-{[4-(4-methoxyphenyl)piperazino]carbonyl}phenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K655-0282
4-(4-chloro-3-{[4-(4-methoxyphenyl)piperazino]carbonyl}phenyl)-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

K655-0282

Molecular Formula

C27H28ClN3O4 (C27 H28 ClN3 O4)

Compound Name

4-(4-chloro-3-{[4-(4-methoxyphenyl)piperazino]carbonyl}phenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

IUPAC name

4-{4-chloro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-azatricyclo[5.2.1.0^{26}]decane-35-dione

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(cc(cc1)N(C(C2C3C4CC2CC4)=O)C3=O)c1Cl)=O

InChI

InChI=1S/C27H28ClN3O4/c1-35-20-7-4-18(5-8-20)29-10-12-30(13-11-29)25(32)21-15-19(6-9-22(21)28)31-26(33)23-16-2-3-17(14-16)24(23)27(31)34/h4-9,15-17,23-24H,2-3,10-14H2,1H3

InChI Key

WXTQJHUWKPZDCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.57

Polar Surface Area

57.177

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

K655-0282 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 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 K655-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K655-0282?
Check Price and Availability of K655-0282, 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 K655-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K655-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K655-0282
  • 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 K655-0282 available by request