F413-0481 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one

F413-0481 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-4-one
F413-0481 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-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 F413-0481
2-({[2-(3-chlorophenyl)-5-methyl-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

F413-0481

Molecular Formula

C25H19ClN4O2S (C25 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2Cc3cnccc3)=Nc(cccc3)c3C2=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C25H19ClN4O2S/c1-16-22(28-23(32-16)18-7-4-8-19(26)12-18)15-33-25-29-21-10-3-2-9-20(21)24(31)30(25)14-17-6-5-11-27-13-17/h2-13H,14-15H2,1H3

InChI Key

XKSAMCVSIRKHNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

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

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.85

Polar Surface Area

53.411

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F413-0481 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F413-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F413-0481?
Check Price and Availability of F413-0481, 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 F413-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F413-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F413-0481
  • 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 F413-0481 available by request