G953-0278 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one

G953-0278 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one
G953-0278 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0278
2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,5,6,7,8-hexahydroquinazolin-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

G953-0278

Molecular Formula

C25H30N6O2 (C25 H30 N6 O2)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-345678-hexahydroquinazolin-4-one

SMILES

Cc1cc(C)nn1C(N1CC(N(CC2)CCN2c2ccccc2)=O)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C25H30N6O2/c1-18-16-19(2)31(27-18)25-26-22-11-7-6-10-21(22)24(33)30(25)17-23(32)29-14-12-28(13-15-29)20-8-4-3-5-9-20/h3-5,8-9,16H,6-7,10-15,17H2,1-2H3

InChI Key

ACKCWYNTAXIVLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08958797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.583

Distribution Coefficient, logD

1.583

Water Solubility, LogSw

-2.07

Polar Surface Area

58.865

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G953-0278 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G953-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0278?
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What is the minimum amount of G953-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0278
  • 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 G953-0278 available by request