G856-6419 Screening compound: N-(4-methoxyphenyl)-1-methyl-2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide

G856-6419 Screening compound: N-(4-methoxyphenyl)-1-methyl-2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
G856-6419 Screening compound: N-(4-methoxyphenyl)-1-methyl-2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6419
N-(4-methoxyphenyl)-1-methyl-2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-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

G856-6419

Molecular Formula

C23H21N5O4S2 (C23 H21 N5 O4 S2)

Compound Name

N-(4-methoxyphenyl)-1-methyl-2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide

IUPAC name

N-(4-methoxyphenyl)-1-methyl-2-({[(6-methyl-13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-16-dihydropyrimidine-5-carboxamide

SMILES

Cc(cc1)cc2c1nc(NC(CSC(N1C)=NC=C(C(Nc(cc3)ccc3OC)=O)C1=O)=O)s2

InChI

InChI=1S/C23H21N5O4S2/c1-13-4-9-17-18(10-13)34-22(26-17)27-19(29)12-33-23-24-11-16(21(31)28(23)2)20(30)25-14-5-7-15(32-3)8-6-14/h4-11H,12H2,1-3H3,(H,25,30)(H,26,27,29)

InChI Key

FPGPUDZJPYLMNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.85

Polar Surface Area

89.343

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G856-6419 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G856-6419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6419?
Check Price and Availability of G856-6419, 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 G856-6419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6419
  • 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 G856-6419 available by request