Y040-4968 Screening compound: 1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

Y040-4968 Screening compound: 1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one
Y040-4968 Screening compound: 1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4968
1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

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

Y040-4968

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

IUPAC name

1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-methyl-14-dihydro-18-naphthyridin-4-one

SMILES

CCN(C=C1C(N(CC2)CCN2c(cc2)ccc2OC)=O)c(nc(C)cc2)c2C1=O

InChI

InChI=1S/C23H26N4O3/c1-4-25-15-20(21(28)19-10-5-16(2)24-22(19)25)23(29)27-13-11-26(12-14-27)17-6-8-18(30-3)9-7-17/h5-10,15H,4,11-14H2,1-3H3

InChI Key

NZTKHKIQLCVCEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06935276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.62

Polar Surface Area

52.716

Acid Dissociation Constant (pKa)

27.70

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

Y040-4968 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-4968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4968?
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What is the minimum amount of Y040-4968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4968
  • 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 Y040-4968 available by request