C592-4022 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-4022 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-4022 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-4022
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}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

C592-4022

Molecular Formula

C17H23N7O2S3 (C17 H23 N7 O2 S3)

Compound Name

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCSc1nnc(NC(CSc2nnc(Cc3cccn3C)n2CCOC)=O)s1

InChI

InChI=1S/C17H23N7O2S3/c1-4-27-17-22-20-15(29-17)18-14(25)11-28-16-21-19-13(24(16)8-9-26-3)10-12-6-5-7-23(12)2/h5-7H,4,8-11H2,1-3H3,(H,18,20,25)

InChI Key

YRSMXYJSHJJIIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04474312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.19

Polar Surface Area

82.491

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C592-4022 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C592-4022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-4022?
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What is the minimum amount of C592-4022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-4022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-4022
  • 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 C592-4022 available by request