G856-2611 Screening compound: ethyl 3-oxo-4-({5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

G856-2611 Screening compound: ethyl 3-oxo-4-({5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
G856-2611 Screening compound: ethyl 3-oxo-4-({5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2611
ethyl 3-oxo-4-({5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

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

G856-2611

Molecular Formula

C22H20N4O4S2 (C22 H20 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CC(CSc1nnc(CN(c(cccc2)c2S2)C2=O)n1-c1ccccc1)=O)=O

InChI

InChI=1S/C22H20N4O4S2/c1-2-30-20(28)12-16(27)14-31-21-24-23-19(26(21)15-8-4-3-5-9-15)13-25-17-10-6-7-11-18(17)32-22(25)29/h3-11H,2,12-14H2,1H3

InChI Key

RJCBJEYSVZTRJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.14

Polar Surface Area

74.719

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G856-2611 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-2611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2611?
Check Price and Availability of G856-2611, 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 G856-2611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2611
  • 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 G856-2611 available by request