C179-0212 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide

C179-0212 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide
C179-0212 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0212
2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide

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

C179-0212

Molecular Formula

C20H25N5OS (C20 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CSc1nn2c(C)c(Cc3ccc(C)cc3)c(C)nc2n1)=O

InChI

InChI=1S/C20H25N5OS/c1-5-10-21-18(26)12-27-20-23-19-22-14(3)17(15(4)25(19)24-20)11-16-8-6-13(2)7-9-16/h6-9H,5,10-12H2,1-4H3,(H,21,26)

InChI Key

MGDHSAORLDUPMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.52

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

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.31

Polar Surface Area

54.139

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C179-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0212?
Check Price and Availability of C179-0212, 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 C179-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0212
  • 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 C179-0212 available by request