F413-0450 Screening compound: 3-(2,4-dimethoxyphenyl)-2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

F413-0450 Screening compound: 3-(2,4-dimethoxyphenyl)-2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
F413-0450 Screening compound: 3-(2,4-dimethoxyphenyl)-2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0450
3-(2,4-dimethoxyphenyl)-2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-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

F413-0450

Molecular Formula

C29H27N3O6S (C29 H27 N3 O6 S)

Compound Name

3-(2,4-dimethoxyphenyl)-2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(24-dimethoxyphenyl)-2-({[2-(23-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2c(ccc(OC)c3)c3OC)=Nc(cccc3)c3C2=O)nc(-c(cccc2OC)c2OC)o1

InChI

InChI=1S/C29H27N3O6S/c1-17-22(30-27(38-17)20-10-8-12-24(35-3)26(20)37-5)16-39-29-31-21-11-7-6-9-19(21)28(33)32(29)23-14-13-18(34-2)15-25(23)36-4/h6-15H,16H2,1-5H3

InChI Key

JDISHNLXXYCQNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.662

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.66

Polar Surface Area

73.502

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

F413-0450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F413-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0450?
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What is the minimum amount of F413-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0450
  • 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 F413-0450 available by request