G856-6414 Screening compound: 1-methyl-N-(4-methylphenyl)-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide

G856-6414 Screening compound: 1-methyl-N-(4-methylphenyl)-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide
G856-6414 Screening compound: 1-methyl-N-(4-methylphenyl)-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6414
1-methyl-N-(4-methylphenyl)-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide

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

G856-6414

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

1-methyl-N-(4-methylphenyl)-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide

IUPAC name

1-methyl-N-(4-methylphenyl)-6-oxo-2-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-16-dihydropyrimidine-5-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C(N1C)=O)=CN=C1SCC(N(CCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C24H24N4O3S/c1-16-9-11-18(12-10-16)26-22(30)19-14-25-24(27(2)23(19)31)32-15-21(29)28-13-5-7-17-6-3-4-8-20(17)28/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,26,30)

InChI Key

HTHNKIFIOFPURV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.60

Polar Surface Area

63.945

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G856-6414 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-6414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6414?
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What is the minimum amount of G856-6414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6414
  • 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 G856-6414 available by request