F413-0549 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-cyclopentyl-3,4-dihydroquinazolin-4-one

F413-0549 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-cyclopentyl-3,4-dihydroquinazolin-4-one
F413-0549 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-cyclopentyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0549
2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-cyclopentyl-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

F413-0549

Molecular Formula

C24H22ClN3O2S (C24 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2C3CCCC3)=Nc(cccc3)c3C2=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C24H22ClN3O2S/c1-15-21(26-22(30-15)16-7-6-8-17(25)13-16)14-31-24-27-20-12-5-4-11-19(20)23(29)28(24)18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14H2,1H3

InChI Key

SQEZSABKVNLITR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.98

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

5.466

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-5.81

Polar Surface Area

43.481

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with F413-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0549?
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What is the minimum amount of F413-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0549
  • 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 F413-0549 available by request