F413-0262 Screening compound: 3-(4-ethoxyphenyl)-2-[({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-3,4-dihydroquinazolin-4-one

F413-0262 Screening compound: 3-(4-ethoxyphenyl)-2-[({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-3,4-dihydroquinazolin-4-one
F413-0262 Screening compound: 3-(4-ethoxyphenyl)-2-[({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0262
3-(4-ethoxyphenyl)-2-[({5-methyl-2-[4-(propan-2-yloxy)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

F413-0262

Molecular Formula

C30H29N3O4S (C30 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N1C(SCc2c(C)oc(-c(cc3)ccc3OC(C)C)n2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C30H29N3O4S/c1-5-35-23-16-12-22(13-17-23)33-29(34)25-8-6-7-9-26(25)32-30(33)38-18-27-20(4)37-28(31-27)21-10-14-24(15-11-21)36-19(2)3/h6-17,19H,5,18H2,1-4H3

InChI Key

CMJAJPGNWXURSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-5.47

Polar Surface Area

57.208

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

F413-0262 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F413-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0262?
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What is the minimum amount of F413-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0262
  • 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 F413-0262 available by request