C179-0048 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

C179-0048 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
C179-0048 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0048
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(pyrrolidin-1-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

C179-0048

Molecular Formula

C24H32N6OS (C24 H32 N6 OS)

Compound Name

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

IUPAC name

2-({57-dimethyl-6-[(2-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

SMILES

Cc1c(Cc(c(C)nc2n3)c(C)n2nc3SCC(NCCCN2CCCC2)=O)cccc1

InChI

InChI=1S/C24H32N6OS/c1-17-9-4-5-10-20(17)15-21-18(2)26-23-27-24(28-30(23)19(21)3)32-16-22(31)25-11-8-14-29-12-6-7-13-29/h4-5,9-10H,6-8,11-16H2,1-3H3,(H,25,31)

InChI Key

HSHDDHDMPQJCJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-3.33

Polar Surface Area

58.216

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C179-0048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C179-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0048?
Check Price and Availability of C179-0048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C179-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0048
  • 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 C179-0048 available by request