C179-0915 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1-phenylethyl)acetamide

C179-0915 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1-phenylethyl)acetamide
C179-0915 Screening compound: 2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0915
2-({6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(1-phenylethyl)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

C179-0915

Molecular Formula

C24H25N5OS (C24 H25 N5 OS)

Compound Name

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

IUPAC name

2-({6-benzyl-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CSc1nn2c(C)c(Cc3ccccc3)c(C)nc2n1)=O

InChI

InChI=1S/C24H25N5OS/c1-16(20-12-8-5-9-13-20)25-22(30)15-31-24-27-23-26-17(2)21(18(3)29(23)28-24)14-19-10-6-4-7-11-19/h4-13,16H,14-15H2,1-3H3,(H,25,30)/t16-/m0/s1

InChI Key

BWIFRFPXGZQTKN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14724130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

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

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.12

Polar Surface Area

53.190

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C179-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0915?
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What is the minimum amount of C179-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0915
  • 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 C179-0915 available by request