8018-3801 Screening compound: N~1~-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-1-cyclopentanecarboxamide

8018-3801 Screening compound: N~1~-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-1-cyclopentanecarboxamide
8018-3801 Screening compound: N~1~-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3801
N~1~-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-1-cyclopentanecarboxamide

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

8018-3801

Molecular Formula

C17H17ClN2OS (C17 H17 ClN2 OS)

Compound Name

N~1~-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-1-cyclopentanecarboxamide

IUPAC name

N-[3-chloro-4-(pyridin-2-ylsulfanyl)phenyl]cyclopentanecarboxamide

SMILES

O=C(C1CCCC1)Nc(cc1)cc(Cl)c1Sc1ncccc1

InChI

InChI=1S/C17H17ClN2OS/c18-14-11-13(20-17(21)12-5-1-2-6-12)8-9-15(14)22-16-7-3-4-10-19-16/h3-4,7-12H,1-2,5-6H2,(H,20,21)

InChI Key

COBFAJXZXNIQDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.53

Polar Surface Area

32.025

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

8018-3801 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3801?
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What is the minimum amount of 8018-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3801
  • 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 8018-3801 available by request