L585-0616 Screening compound: ethyl 4-[({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamoyl)amino]benzoate

L585-0616 Screening compound: ethyl 4-[({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamoyl)amino]benzoate
L585-0616 Screening compound: ethyl 4-[({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L585-0616
ethyl 4-[({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamoyl)amino]benzoate

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

L585-0616

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

ethyl 4-[({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamoyl)amino]benzoate

IUPAC name

ethyl 4-[({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamoyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(NCc1cc(N2CCSCC2)ncc1)=O)=O

InChI

InChI=1S/C20H24N4O3S/c1-2-27-19(25)16-3-5-17(6-4-16)23-20(26)22-14-15-7-8-21-18(13-15)24-9-11-28-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,26)

InChI Key

OJLGARDAMZXAML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.75

Polar Surface Area

66.581

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L585-0616 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L585-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L585-0616?
Check Price and Availability of L585-0616, 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 L585-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L585-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L585-0616
  • 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 L585-0616 available by request