C179-0041 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide

C179-0041 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide
C179-0041 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0041
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)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

C179-0041

Molecular Formula

C24H22F3N5OS (C24 H22 F3 N5 OS)

Compound Name

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

IUPAC name

2-({57-dimethyl-6-[(2-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[(246-trifluorophenyl)methyl]acetamide

SMILES

Cc1c(Cc(c(C)nc2n3)c(C)n2nc3SCC(NCc(c(F)cc(F)c2)c2F)=O)cccc1

InChI

InChI=1S/C24H22F3N5OS/c1-13-6-4-5-7-16(13)8-18-14(2)29-23-30-24(31-32(23)15(18)3)34-12-22(33)28-11-19-20(26)9-17(25)10-21(19)27/h4-7,9-10H,8,11-12H2,1-3H3,(H,28,33)

InChI Key

LTLXMGGJOVXFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.53

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

5.139

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.06

Polar Surface Area

54.026

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C179-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0041?
Check Price and Availability of C179-0041, 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 C179-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0041
  • 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 C179-0041 available by request