Y040-4986 Screening compound: 1-ethyl-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide

Y040-4986 Screening compound: 1-ethyl-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
Y040-4986 Screening compound: 1-ethyl-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4986
1-ethyl-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydro[1,8]naphthyridine-3-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

Y040-4986

Molecular Formula

C16H16N4O2S (C16 H16 N4 O2 S)

Compound Name

1-ethyl-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide

IUPAC name

1-ethyl-7-methyl-N-(4-methyl-13-thiazol-2-yl)-4-oxo-14-dihydro-18-naphthyridine-3-carboxamide

SMILES

CCN(C=C1C(Nc2nc(C)cs2)=O)c(nc(C)cc2)c2C1=O

InChI

InChI=1S/C16H16N4O2S/c1-4-20-7-12(15(22)19-16-18-10(3)8-23-16)13(21)11-6-5-9(2)17-14(11)20/h5-8H,4H2,1-3H3,(H,18,19,22)

InChI Key

IRSVOCFABBSJBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04804752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.70

Polar Surface Area

58.208

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y040-4986 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-4986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4986?
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What is the minimum amount of Y040-4986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4986
  • 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 Y040-4986 available by request