G856-5085 Screening compound: N-{2-[2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}-4-fluoro-3-(trifluoromethyl)benzene-1-sulfonamide

G856-5085 Screening compound: N-{2-[2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}-4-fluoro-3-(trifluoromethyl)benzene-1-sulfonamide
G856-5085 Screening compound: N-{2-[2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}-4-fluoro-3-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5085
N-{2-[2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}-4-fluoro-3-(trifluoromethyl)benzene-1-sulfonamide

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

G856-5085

Molecular Formula

C21H18F4N4O4S2 (C21 H18 F4 N4 O4 S2)

Compound Name

N-{2-[2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}-4-fluoro-3-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-{2-[2-(34-dimethoxyphenyl)-[124]triazolo[32-b][13]thiazol-6-yl]ethyl}-4-fluoro-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

COc(ccc(-c1nn(c(CCNS(c(cc2)cc(C(F)(F)F)c2F)(=O)=O)cs2)c2n1)c1)c1OC

InChI

InChI=1S/C21H18F4N4O4S2/c1-32-17-6-3-12(9-18(17)33-2)19-27-20-29(28-19)13(11-34-20)7-8-26-35(30,31)14-4-5-16(22)15(10-14)21(23,24)25/h3-6,9-11,26H,7-8H2,1-2H3

InChI Key

ZRKNVQWNZHAKGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07190862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.43

Polar Surface Area

78.303

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G856-5085 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G856-5085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5085?
Check Price and Availability of G856-5085, 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 G856-5085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5085
  • 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 G856-5085 available by request