F413-0361 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(thiophen-2-yl)methyl]-3,4-dihydroquinazolin-4-one

F413-0361 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(thiophen-2-yl)methyl]-3,4-dihydroquinazolin-4-one
F413-0361 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(thiophen-2-yl)methyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0361
2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(thiophen-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

F413-0361

Molecular Formula

C26H23N3O3S2 (C26 H23 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(CSC(N2Cc3cccs3)=Nc(cccc3)c3C2=O)c(C)o1

InChI

InChI=1S/C26H23N3O3S2/c1-3-31-19-12-10-18(11-13-19)24-27-23(17(2)32-24)16-34-26-28-22-9-5-4-8-21(22)25(30)29(26)15-20-7-6-14-33-20/h4-14H,3,15-16H2,1-2H3

InChI Key

MUBZOSVMNFUJBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.425

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-5.31

Polar Surface Area

52.035

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F413-0361 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F413-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0361?
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What is the minimum amount of F413-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0361
  • 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 F413-0361 available by request