L585-0599 Screening compound: 3-(2-chloro-4-methylphenyl)-1-{[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}urea

L585-0599 Screening compound: 3-(2-chloro-4-methylphenyl)-1-{[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}urea
L585-0599 Screening compound: 3-(2-chloro-4-methylphenyl)-1-{[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L585-0599
3-(2-chloro-4-methylphenyl)-1-{[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}urea

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

L585-0599

Molecular Formula

C18H21ClN4OS (C18 H21 ClN4 OS)

Compound Name

3-(2-chloro-4-methylphenyl)-1-{[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}urea

IUPAC name

3-(2-chloro-4-methylphenyl)-1-{[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}urea

SMILES

Cc(cc1)cc(Cl)c1NC(NCc1cc(N2CCSCC2)ncc1)=O

InChI

InChI=1S/C18H21ClN4OS/c1-13-2-3-16(15(19)10-13)22-18(24)21-12-14-4-5-20-17(11-14)23-6-8-25-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H2,21,22,24)

InChI Key

CMNVNAJVJGRJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.76

Polar Surface Area

45.129

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L585-0599 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with L585-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L585-0599?
Check Price and Availability of L585-0599, 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 L585-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L585-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L585-0599
  • 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 L585-0599 available by request