K655-0271 Screening compound: 4-{4-chloro-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

K655-0271 Screening compound: 4-{4-chloro-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
K655-0271 Screening compound: 4-{4-chloro-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K655-0271
4-{4-chloro-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]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

K655-0271

Molecular Formula

C25H23ClN2O3 (C25 H23 ClN2 O3)

Compound Name

4-{4-chloro-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

IUPAC name

4-[4-chloro-3-(1234-tetrahydroisoquinoline-2-carbonyl)phenyl]-4-azatricyclo[5.2.1.0^{26}]decane-35-dione

SMILES

O=C(c(cc(cc1)N(C(C2C3C4CC2CC4)=O)C3=O)c1Cl)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H23ClN2O3/c26-20-8-7-18(28-24(30)21-15-5-6-16(11-15)22(21)25(28)31)12-19(20)23(29)27-10-9-14-3-1-2-4-17(14)13-27/h1-4,7-8,12,15-16,21-22H,5-6,9-11,13H2

InChI Key

WQDOKMMDRPBHKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.76

Polar Surface Area

46.035

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.00

K655-0271 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K655-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K655-0271?
Check Price and Availability of K655-0271, 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 K655-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K655-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K655-0271
  • 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 K655-0271 available by request