F413-0499 Screening compound: 2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydroquinazolin-4-one

F413-0499 Screening compound: 2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydroquinazolin-4-one
F413-0499 Screening compound: 2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0499
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[4-(dimethylamino)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

F413-0499

Molecular Formula

C27H23ClN4O2S (C27 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2c(cc3)ccc3N(C)C)=Nc(cccc3)c3C2=O)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C27H23ClN4O2S/c1-17-24(29-25(34-17)18-8-10-19(28)11-9-18)16-35-27-30-23-7-5-4-6-22(23)26(33)32(27)21-14-12-20(13-15-21)31(2)3/h4-15H,16H2,1-3H3

InChI Key

QDOUBURFTSKMBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.02

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

5.493

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-5.90

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

F413-0499 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F413-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0499?
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What is the minimum amount of F413-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0499
  • 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 F413-0499 available by request