G857-0862 Screening compound: ethyl 6-methyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylate

G857-0862 Screening compound: ethyl 6-methyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
G857-0862 Screening compound: ethyl 6-methyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0862
ethyl 6-methyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylate

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

G857-0862

Molecular Formula

C18H18N4O4S2 (C18 H18 N4 O4 S2)

Compound Name

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

IUPAC name

ethyl 6-methyl-4-({[(6-methyl-13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-2-oxo-12-dihydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(SCC(Nc1nc(ccc(C)c2)c2s1)=O)=N1)=C(C)NC1=O)=O

InChI

InChI=1S/C18H18N4O4S2/c1-4-26-16(24)14-10(3)19-17(25)22-15(14)27-8-13(23)21-18-20-11-6-5-9(2)7-12(11)28-18/h5-7H,4,8H2,1-3H3,(H,19,22,25)(H,20,21,23)

InChI Key

RKYGPHONLMOTJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.905

Distribution Coefficient, logD

-0.363

Water Solubility, LogSw

-3.14

Polar Surface Area

85.737

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G857-0862 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 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 G857-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0862?
Check Price and Availability of G857-0862, 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 G857-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0862
  • 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 G857-0862 available by request