G953-0008 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one

G953-0008 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one
G953-0008 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0008
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3,4-dihydropyrimidin-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

G953-0008

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-34-dihydropyrimidin-4-one

SMILES

CCC1=C(C)N=C(n2nc(C)cc2C)N(CC(N(CCC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C23H27N5O2/c1-5-19-17(4)24-23(28-16(3)13-15(2)25-28)27(22(19)30)14-21(29)26-12-8-10-18-9-6-7-11-20(18)26/h6-7,9,11,13H,5,8,10,12,14H2,1-4H3

InChI Key

PKDZTVMCOHRBOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

2.004

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.31

Polar Surface Area

53.950

Acid Dissociation Constant (pKa)

24.55

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G953-0008 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G953-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0008?
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What is the minimum amount of G953-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0008
  • 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 G953-0008 available by request