C179-0918 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide

C179-0918 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
C179-0918 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0918
2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-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

C179-0918

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc2ccccc2)c(C)nc2nc(SCC(NCC3OCCC3)=O)nn12

InChI

InChI=1S/C21H25N5O2S/c1-14-18(11-16-7-4-3-5-8-16)15(2)26-20(23-14)24-21(25-26)29-13-19(27)22-12-17-9-6-10-28-17/h3-5,7-8,17H,6,9-13H2,1-2H3,(H,22,27)/t17-/m1/s1

InChI Key

FFYQBRNRCIRBTF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14724133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.40

Polar Surface Area

62.681

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C179-0918 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C179-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0918?
Check Price and Availability of C179-0918, 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 C179-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0918
  • 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 C179-0918 available by request