C592-3967 Screening compound: 2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-3967 Screening compound: 2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-3967 Screening compound: 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 C592-3967
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

C592-3967

Molecular Formula

C13H19N5O2S (C13 H19 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(Cc(n2CCOC)nnc2SCC(N)=O)ccc1

InChI

InChI=1S/C13H19N5O2S/c1-17-5-3-4-10(17)8-12-15-16-13(21-9-11(14)19)18(12)6-7-20-2/h3-5H,6-9H2,1-2H3,(H2,14,19)

InChI Key

QXAACWYNUUYHEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04474267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.290

Distribution Coefficient, logD

0.290

Water Solubility, LogSw

-1.69

Polar Surface Area

70.095

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C592-3967 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C592-3967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3967?
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What is the minimum amount of C592-3967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3967
  • 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 C592-3967 available by request