F413-0119 Screening compound: 2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(3-methylbutyl)-3,4-dihydroquinazolin-4-one

F413-0119 Screening compound: 2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(3-methylbutyl)-3,4-dihydroquinazolin-4-one
F413-0119 Screening compound: 2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(3-methylbutyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0119
2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(3-methylbutyl)-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

F413-0119

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN1C(SCc2c(C)oc(-c(cc3)ccc3OC)n2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C25H27N3O3S/c1-16(2)13-14-28-24(29)20-7-5-6-8-21(20)27-25(28)32-15-22-17(3)31-23(26-22)18-9-11-19(30-4)12-10-18/h5-12,16H,13-15H2,1-4H3

InChI Key

FAOKLEGQRDUUDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

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

5.359

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.26

Polar Surface Area

51.687

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with F413-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0119?
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What is the minimum amount of F413-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0119
  • 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 F413-0119 available by request