C179-0256 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

C179-0256 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
C179-0256 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0256
2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]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

C179-0256

Molecular Formula

C25H34N6OS (C25 H34 N6 OS)

Compound Name

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

IUPAC name

2-({57-dimethyl-6-[(4-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

SMILES

CC1N(CCNC(CSc2nn3c(C)c(Cc4ccc(C)cc4)c(C)nc3n2)=O)CCCC1

InChI

InChI=1S/C25H34N6OS/c1-17-8-10-21(11-9-17)15-22-19(3)27-24-28-25(29-31(24)20(22)4)33-16-23(32)26-12-14-30-13-6-5-7-18(30)2/h8-11,18H,5-7,12-16H2,1-4H3,(H,26,32)/t18-/m0/s1

InChI Key

MGNHXEPFDKSBIJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14724090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-3.47

Polar Surface Area

57.301

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

C179-0256 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C179-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0256?
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What is the minimum amount of C179-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0256
  • 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 C179-0256 available by request