C179-0126 Screening compound: 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

C179-0126 Screening compound: 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
C179-0126 Screening compound: 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0126
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]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

C179-0126

Molecular Formula

C22H23N5OS2 (C22 H23 N5 OS2)

Compound Name

2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-({57-dimethyl-6-[(3-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc1cccc(Cc(c(C)nc2n3)c(C)n2nc3SCC(NCc2cccs2)=O)c1

InChI

InChI=1S/C22H23N5OS2/c1-14-6-4-7-17(10-14)11-19-15(2)24-21-25-22(26-27(21)16(19)3)30-13-20(28)23-12-18-8-5-9-29-18/h4-10H,11-13H2,1-3H3,(H,23,28)

InChI Key

VJHYSJSGNDXDSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.42

Polar Surface Area

55.045

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C179-0126 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C179-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0126?
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What is the minimum amount of C179-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0126
  • 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 C179-0126 available by request