G856-2608 Screening compound: ethyl 4-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate

G856-2608 Screening compound: ethyl 4-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate
G856-2608 Screening compound: ethyl 4-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2608
ethyl 4-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate

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

G856-2608

Molecular Formula

C17H18N4O4S2 (C17 H18 N4 O4 S2)

Compound Name

ethyl 4-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate

IUPAC name

ethyl 4-({4-methyl-5-[(2-oxo-23-dihydro-13-benzothiazol-3-yl)methyl]-4H-124-triazol-3-yl}sulfanyl)-3-oxobutanoate

SMILES

CCOC(CC(CSc1nnc(CN(c(cccc2)c2S2)C2=O)n1C)=O)=O

InChI

InChI=1S/C17H18N4O4S2/c1-3-25-15(23)8-11(22)10-26-16-19-18-14(20(16)2)9-21-12-6-4-5-7-13(12)27-17(21)24/h4-7H,3,8-10H2,1-2H3

InChI Key

YZGTYKUVWBFJPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.450

Distribution Coefficient, logD

1.450

Water Solubility, LogSw

-2.23

Polar Surface Area

75.057

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G856-2608 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with G856-2608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2608?
Check Price and Availability of G856-2608, 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 G856-2608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2608
  • 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 G856-2608 available by request