C179-0062 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]acetamide

C179-0062 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]acetamide
C179-0062 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0062
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]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

C179-0062

Molecular Formula

C24H32N6O2S (C24 H32 N6 O2 S)

Compound Name

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

IUPAC name

2-({57-dimethyl-6-[(2-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]acetamide

SMILES

Cc1c(Cc(c(C)nc2n3)c(C)n2nc3SCC(NCCCN2CCOCC2)=O)cccc1

InChI

InChI=1S/C24H32N6O2S/c1-17-7-4-5-8-20(17)15-21-18(2)26-23-27-24(28-30(23)19(21)3)33-16-22(31)25-9-6-10-29-11-13-32-14-12-29/h4-5,7-8H,6,9-16H2,1-3H3,(H,25,31)

InChI Key

KVPHHTATMXBAPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.59

Polar Surface Area

65.759

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C179-0062 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C179-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0062?
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What is the minimum amount of C179-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0062
  • 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 C179-0062 available by request