F413-0197 Screening compound: 2-({[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-phenyl-3,4-dihydroquinazolin-4-one

F413-0197 Screening compound: 2-({[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-phenyl-3,4-dihydroquinazolin-4-one
F413-0197 Screening compound: 2-({[2-(5-bromo-2-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 F413-0197
2-({[2-(5-bromo-2-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

F413-0197

Molecular Formula

C26H20BrN3O3S (C26 H20 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)nc(-c(cc(cc2)Br)c2OC)o1

InChI

InChI=1S/C26H20BrN3O3S/c1-16-22(28-24(33-16)20-14-17(27)12-13-23(20)32-2)15-34-26-29-21-11-7-6-10-19(21)25(31)30(26)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3

InChI Key

RXDHJBVJULOCSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.41

Polar Surface Area

50.912

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

F413-0197 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F413-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0197?
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What is the minimum amount of F413-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0197
  • 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 F413-0197 available by request