C592-3882 Screening compound: ethyl 2-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

C592-3882 Screening compound: ethyl 2-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate
C592-3882 Screening compound: ethyl 2-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3882
ethyl 2-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

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

C592-3882

Molecular Formula

C16H19N7O3S3 (C16 H19 N7 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)nc(NC(CSc2nnc(-c3c(C)nc(N)s3)n2C)=O)s1)=O

InChI

InChI=1S/C16H19N7O3S3/c1-5-26-13(25)11-8(3)19-15(29-11)20-9(24)6-27-16-22-21-12(23(16)4)10-7(2)18-14(17)28-10/h5-6H2,1-4H3,(H2,17,18)(H,19,20,24)

InChI Key

FWRYDFFUWARPER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405641

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

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.52

Polar Surface Area

110.957

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C592-3882 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C592-3882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3882?
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What is the minimum amount of C592-3882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3882
  • 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 C592-3882 available by request