G856-2599 Screening compound: 6-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

G856-2599 Screening compound: 6-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
G856-2599 Screening compound: 6-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)-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 G856-2599
6-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)-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

G856-2599

Molecular Formula

C22H18FN5O4S (C22 H18 FN5 O4 S)

Compound Name

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

SMILES

COc(cc1)ccc1C(CSc1nnc(CC(NC(N2)=O)=CC2=O)n1-c(cc1)ccc1F)=O

InChI

InChI=1S/C22H18FN5O4S/c1-32-17-8-2-13(3-9-17)18(29)12-33-22-27-26-19(10-15-11-20(30)25-21(31)24-15)28(22)16-6-4-14(23)5-7-16/h2-9,11H,10,12H2,1H3,(H2,24,25,30,31)

InChI Key

NOLBMEXTRDEWCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-2.69

Polar Surface Area

95.768

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with G856-2599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2599?
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What is the minimum amount of G856-2599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2599
  • 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 G856-2599 available by request