F413-0508 Screening compound: 3-[4-(dimethylamino)phenyl]-2-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

F413-0508 Screening compound: 3-[4-(dimethylamino)phenyl]-2-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
F413-0508 Screening compound: 3-[4-(dimethylamino)phenyl]-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 F413-0508
3-[4-(dimethylamino)phenyl]-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

F413-0508

Molecular Formula

C27H24N4O2S (C27 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2c(cc3)ccc3N(C)C)=Nc(cccc3)c3C2=O)nc(-c2ccccc2)o1

InChI

InChI=1S/C27H24N4O2S/c1-18-24(28-25(33-18)19-9-5-4-6-10-19)17-34-27-29-23-12-8-7-11-22(23)26(32)31(27)21-15-13-20(14-16-21)30(2)3/h4-16H,17H2,1-3H3

InChI Key

CQFNAYXPHGUGKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.71

Polar Surface Area

46.086

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F413-0508 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F413-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0508?
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What is the minimum amount of F413-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0508
  • 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 F413-0508 available by request