C592-3871 Screening compound: ethyl 2-{2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate

C592-3871 Screening compound: ethyl 2-{2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate
C592-3871 Screening compound: ethyl 2-{2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3871
ethyl 2-{2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate

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

C592-3871

Molecular Formula

C16H19N7O3S3 (C16 H19 N7 O3 S3)

Compound Name

ethyl 2-{2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[2-({5-[(2-amino-13-thiazol-4-yl)methyl]-4-methyl-4H-124-triazol-3-yl}sulfanyl)acetamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(CSc2nnc(Cc3csc(N)n3)n2C)=O)n1)=O

InChI

InChI=1S/C16H19N7O3S3/c1-3-26-13(25)5-10-7-28-15(19-10)20-12(24)8-29-16-22-21-11(23(16)2)4-9-6-27-14(17)18-9/h6-7H,3-5,8H2,1-2H3,(H2,17,18)(H,19,20,24)

InChI Key

SJHIOTBUHIJTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05841199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.400

Distribution Coefficient, logD

1.048

Water Solubility, LogSw

-2.08

Polar Surface Area

111.175

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C592-3871 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C592-3871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3871?
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What is the minimum amount of C592-3871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3871
  • 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 C592-3871 available by request