C592-2289 Screening compound: 6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

C592-2289 Screening compound: 6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
C592-2289 Screening compound: 6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2289
6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

C592-2289

Molecular Formula

C19H19FN6O4S (C19 H19 FN6 O4 S)

Compound Name

6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-124-triazol-3-yl]methyl}-1234-tetrahydropyrimidine-24-dione

SMILES

O=C(CSc1nnc(CC(NC(N2)=O)=CC2=O)n1-c(cc1)ccc1F)N1CCOCC1

InChI

InChI=1S/C19H19FN6O4S/c20-12-1-3-14(4-2-12)26-15(9-13-10-16(27)22-18(29)21-13)23-24-19(26)31-11-17(28)25-5-7-30-8-6-25/h1-4,10H,5-9,11H2,(H2,21,22,27,29)

InChI Key

CLDKKHUNYFSMKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.139

Distribution Coefficient, logD

-0.311

Water Solubility, LogSw

-2.27

Polar Surface Area

99.278

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C592-2289 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C592-2289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2289?
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What is the minimum amount of C592-2289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2289
  • 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 C592-2289 available by request