F413-0196 Screening compound: 2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-phenyl-3,4-dihydroquinazolin-4-one

F413-0196 Screening compound: 2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-phenyl-3,4-dihydroquinazolin-4-one
F413-0196 Screening compound: 2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-phenyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0196
2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-phenyl-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

F413-0196

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(-c1nc(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)c(C)o1)c1)c1OC

InChI

InChI=1S/C28H25N3O4S/c1-4-34-24-15-14-19(16-25(24)33-3)26-29-23(18(2)35-26)17-36-28-30-22-13-9-8-12-21(22)27(32)31(28)20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3

InChI Key

VIPJCNSHMXZOKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.53

Polar Surface Area

58.122

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F413-0196 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F413-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0196?
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What is the minimum amount of F413-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0196
  • 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 F413-0196 available by request