F413-0560 Screening compound: 3-cyclopentyl-2-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

F413-0560 Screening compound: 3-cyclopentyl-2-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
F413-0560 Screening compound: 3-cyclopentyl-2-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0560
3-cyclopentyl-2-({[2-(2,4-dimethoxyphenyl)-5-methyl-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

F413-0560

Molecular Formula

C26H27N3O4S (C26 H27 N3 O4 S)

Compound Name

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

IUPAC name

3-cyclopentyl-2-({[2-(24-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2C3CCCC3)=Nc(cccc3)c3C2=O)nc(-c(ccc(OC)c2)c2OC)o1

InChI

InChI=1S/C26H27N3O4S/c1-16-22(27-24(33-16)20-13-12-18(31-2)14-23(20)32-3)15-34-26-28-21-11-7-6-10-19(21)25(30)29(26)17-8-4-5-9-17/h6-7,10-14,17H,4-5,8-9,15H2,1-3H3

InChI Key

QRUSMQFZOLIBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.75

Polar Surface Area

58.655

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F413-0560 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F413-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0560?
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What is the minimum amount of F413-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0560
  • 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 F413-0560 available by request