F413-0399 Screening compound: 2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-2-yl)methyl]-3,4-dihydroquinazolin-4-one

F413-0399 Screening compound: 2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-2-yl)methyl]-3,4-dihydroquinazolin-4-one
F413-0399 Screening compound: 2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-2-yl)methyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0399
2-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-2-yl)methyl]-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

F413-0399

Molecular Formula

C27H24N4O4S (C27 H24 N4 O4 S)

Compound Name

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

IUPAC name

2-({[2-(23-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-2-yl)methyl]-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2Cc3ncccc3)=Nc(cccc3)c3C2=O)nc(-c(cccc2OC)c2OC)o1

InChI

InChI=1S/C27H24N4O4S/c1-17-22(29-25(35-17)20-11-8-13-23(33-2)24(20)34-3)16-36-27-30-21-12-5-4-10-19(21)26(32)31(27)15-18-9-6-7-14-28-18/h4-14H,15-16H2,1-3H3

InChI Key

ICEDYTDBUGAPNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.07

Polar Surface Area

68.784

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F413-0399 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F413-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0399?
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What is the minimum amount of F413-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0399
  • 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 F413-0399 available by request