F413-0073 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(propan-2-yl)-3,4-dihydroquinazolin-4-one

F413-0073 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(propan-2-yl)-3,4-dihydroquinazolin-4-one
F413-0073 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(propan-2-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0073
2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-(propan-2-yl)-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

F413-0073

Molecular Formula

C22H20ClN3O2S (C22 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N1C(SCc2c(C)oc(-c3cccc(Cl)c3)n2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C22H20ClN3O2S/c1-13(2)26-21(27)17-9-4-5-10-18(17)25-22(26)29-12-19-14(3)28-20(24-19)15-7-6-8-16(23)11-15/h4-11,13H,12H2,1-3H3

InChI Key

MMNHKLMGTNQBIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.107

Water Solubility, LogSw

-5.33

Polar Surface Area

43.885

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F413-0073 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F413-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0073?
Check Price and Availability of F413-0073, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F413-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0073
  • 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 F413-0073 available by request