F413-0477 Screening compound: 2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one

F413-0477 Screening compound: 2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one
F413-0477 Screening compound: 2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F413-0477
2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-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

F413-0477

Molecular Formula

C26H22N4O2S (C26 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2Cc3cnccc3)=Nc(cccc3)c3C2=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C26H22N4O2S/c1-17-9-11-20(12-10-17)24-28-23(18(2)32-24)16-33-26-29-22-8-4-3-7-21(22)25(31)30(26)15-19-6-5-13-27-14-19/h3-14H,15-16H2,1-2H3

InChI Key

ZHWBRBRETSNWQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

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

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.21

Polar Surface Area

53.411

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with F413-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0477?
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What is the minimum amount of F413-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0477
  • 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 F413-0477 available by request