F413-0442 Screening compound: 3-(3,5-dimethoxyphenyl)-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

F413-0442 Screening compound: 3-(3,5-dimethoxyphenyl)-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
F413-0442 Screening compound: 3-(3,5-dimethoxyphenyl)-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0442
3-(3,5-dimethoxyphenyl)-2-({[2-(4-methoxyphenyl)-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

F413-0442

Molecular Formula

C28H25N3O5S (C28 H25 N3 O5 S)

Compound Name

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

IUPAC name

3-(35-dimethoxyphenyl)-2-({[2-(4-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2c3cc(OC)cc(OC)c3)=Nc(cccc3)c3C2=O)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C28H25N3O5S/c1-17-25(29-26(36-17)18-9-11-20(33-2)12-10-18)16-37-28-30-24-8-6-5-7-23(24)27(32)31(28)19-13-21(34-3)15-22(14-19)35-4/h5-15H,16H2,1-4H3

InChI Key

NXHYZTDAMMWSQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.05

Polar Surface Area

65.913

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F413-0442 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 F413-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0442?
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What is the minimum amount of F413-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0442
  • 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 F413-0442 available by request