8012-6558 Screening compound: 3-(4,4-diphenyl-3,4-dihydro-2-quinazolinyl)-4-(methoxymethyl)-6-methyl-2(1H)-pyridinone

8012-6558 Screening compound: 3-(4,4-diphenyl-3,4-dihydro-2-quinazolinyl)-4-(methoxymethyl)-6-methyl-2(1H)-pyridinone
8012-6558 Screening compound: 3-(4,4-diphenyl-3,4-dihydro-2-quinazolinyl)-4-(methoxymethyl)-6-methyl-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6558
3-(4,4-diphenyl-3,4-dihydro-2-quinazolinyl)-4-(methoxymethyl)-6-methyl-2(1H)-pyridinone

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

8012-6558

Molecular Formula

C28H25N3O2 (C28 H25 N3 O2)

Compound Name

3-(4,4-diphenyl-3,4-dihydro-2-quinazolinyl)-4-(methoxymethyl)-6-methyl-2(1H)-pyridinone

IUPAC name

3-(44-diphenyl-34-dihydroquinazolin-2-yl)-4-(methoxymethyl)-6-methyl-12-dihydropyridin-2-one

SMILES

CC(N1)=CC(COC)=C(C(NC2(c3ccccc3)c3ccccc3)=Nc3c2cccc3)C1=O

InChI

InChI=1S/C28H25N3O2/c1-19-17-20(18-33-2)25(27(32)29-19)26-30-24-16-10-9-15-23(24)28(31-26,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-17H,18H2,1-2H3,(H,29,32)(H,30,31)

InChI Key

GRWPOYGWONCTGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-4.40

Polar Surface Area

54.987

Acid Dissociation Constant (pKa)

6.13

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8012-6558 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-6558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6558?
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What is the minimum amount of 8012-6558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6558
  • 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 8012-6558 available by request