F413-0027 Screening compound: 2-({[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-ethyl-3,4-dihydroquinazolin-4-one

F413-0027 Screening compound: 2-({[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-ethyl-3,4-dihydroquinazolin-4-one
F413-0027 Screening compound: 2-({[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-ethyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0027
2-({[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-ethyl-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

F413-0027

Molecular Formula

C22H20BrN3O3S (C22 H20 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN1C(SCc2c(C)oc(-c(cc(cc3)Br)c3OC)n2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C22H20BrN3O3S/c1-4-26-21(27)15-7-5-6-8-17(15)25-22(26)30-12-18-13(2)29-20(24-18)16-11-14(23)9-10-19(16)28-3/h5-11H,4,12H2,1-3H3

InChI Key

WUKJMEFNOUCSMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.62

Polar Surface Area

51.520

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with F413-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0027?
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What is the minimum amount of F413-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0027
  • 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 F413-0027 available by request