F413-0440 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

F413-0440 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
F413-0440 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0440
3-(3,5-dimethoxyphenyl)-2-{[(5-methyl-2-phenyl-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

F413-0440

Molecular Formula

C27H23N3O4S (C27 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2c3cc(OC)cc(OC)c3)=Nc(cccc3)c3C2=O)nc(-c2ccccc2)o1

InChI

InChI=1S/C27H23N3O4S/c1-17-24(28-25(34-17)18-9-5-4-6-10-18)16-35-27-29-23-12-8-7-11-22(23)26(31)30(27)19-13-20(32-2)15-21(14-19)33-3/h4-15H,16H2,1-3H3

InChI Key

KRIINGXLUZHFTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.97

Polar Surface Area

58.369

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F413-0440 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F413-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0440?
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What is the minimum amount of F413-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0440
  • 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 F413-0440 available by request