F413-0213 Screening compound: 2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

F413-0213 Screening compound: 2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
F413-0213 Screening compound: 2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0213
2-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(4-methoxyphenyl)-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

F413-0213

Molecular Formula

C29H27N3O5S (C29 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(-c1nc(CSC(N2c(cc3)ccc3OC)=Nc(cccc3)c3C2=O)c(C)o1)c1)c1OC

InChI

InChI=1S/C29H27N3O5S/c1-5-36-25-15-10-19(16-26(25)35-4)27-30-24(18(2)37-27)17-38-29-31-23-9-7-6-8-22(23)28(33)32(29)20-11-13-21(34-3)14-12-20/h6-16H,5,17H2,1-4H3

InChI Key

QFZNEQNQCUEWSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.56

Polar Surface Area

65.666

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

F413-0213 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 F413-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0213?
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What is the minimum amount of F413-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0213
  • 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 F413-0213 available by request