8009-5168 Screening compound: 10,10-dichloro-N~5~-(2-pyridyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide

8009-5168 Screening compound: 10,10-dichloro-N~5~-(2-pyridyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide
8009-5168 Screening compound: 10,10-dichloro-N~5~-(2-pyridyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5168
10,10-dichloro-N~5~-(2-pyridyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide

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

8009-5168

Molecular Formula

C16H18Cl2N2O (C16 H18 Cl2 N2 O)

Compound Name

10,10-dichloro-N~5~-(2-pyridyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide

IUPAC name

1010-dichloro-N-(pyridin-2-yl)tricyclo[7.1.0.0^{46}]decane-5-carboxamide

SMILES

O=C(C1C(CCC23)C1CCC3C2(Cl)Cl)Nc1ncccc1

InChI

InChI=1S/C16H18Cl2N2O/c17-16(18)11-6-4-9-10(5-7-12(11)16)14(9)15(21)20-13-3-1-2-8-19-13/h1-3,8-12,14H,4-7H2,(H,19,20,21)

InChI Key

ASFHTUNFFKMFSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.54

Polar Surface Area

33.971

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

62.50

8009-5168 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-5168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5168?
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What is the minimum amount of 8009-5168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5168
  • 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 8009-5168 available by request