F416-0068 Screening compound: N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-{[6-oxo-4-(pyridin-3-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

F416-0068 Screening compound: N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-{[6-oxo-4-(pyridin-3-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
F416-0068 Screening compound: N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-{[6-oxo-4-(pyridin-3-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F416-0068
N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-{[6-oxo-4-(pyridin-3-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

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

F416-0068

Molecular Formula

C21H17N5O3S (C21 H17 N5 O3 S)

Compound Name

N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-{[6-oxo-4-(pyridin-3-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-[4-(4-methylphenyl)-12-oxazol-5-yl]-2-{[6-oxo-4-(pyridin-3-yl)-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c1c(NC(CSC(N2)=NC(c3cnccc3)=CC2=O)=O)onc1

InChI

InChI=1S/C21H17N5O3S/c1-13-4-6-14(7-5-13)16-11-23-29-20(16)25-19(28)12-30-21-24-17(9-18(27)26-21)15-3-2-8-22-10-15/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27)

InChI Key

NRNDMBZAQRJQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.776

Distribution Coefficient, logD

1.381

Water Solubility, LogSw

-2.26

Polar Surface Area

89.436

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F416-0068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F416-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F416-0068?
Check Price and Availability of F416-0068, 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 F416-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F416-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F416-0068
  • 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 F416-0068 available by request