G574-0161 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide

G574-0161 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide
G574-0161 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G574-0161
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide

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

G574-0161

Molecular Formula

C23H19N5O3S (C23 H19 N5 O3 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{2-[2-(2-methylphenyl)-[124]triazolo[32-b][13]thiazol-6-yl]ethyl}acetamide

SMILES

Cc(cccc1)c1-c1nn(c(CCNC(CN(C(c2c3cccc2)=O)C3=O)=O)cs2)c2n1

InChI

InChI=1S/C23H19N5O3S/c1-14-6-2-3-7-16(14)20-25-23-28(26-20)15(13-32-23)10-11-24-19(29)12-27-21(30)17-8-4-5-9-18(17)22(27)31/h2-9,13H,10-12H2,1H3,(H,24,29)

InChI Key

XCDWNSJDTPVSHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08009977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.14

Polar Surface Area

75.009

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G574-0161 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G574-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G574-0161?
Check Price and Availability of G574-0161, 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 G574-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G574-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G574-0161
  • 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 G574-0161 available by request