C118-0366 Screening compound: 2-(benzylsulfanyl)-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C118-0366 Screening compound: 2-(benzylsulfanyl)-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C118-0366 Screening compound: 2-(benzylsulfanyl)-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C118-0366
2-(benzylsulfanyl)-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

C118-0366

Molecular Formula

C26H24N6OS (C26 H24 N6 OS)

Compound Name

2-(benzylsulfanyl)-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-(benzylsulfanyl)-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1ccc(C(C(C(Nc2cnccc2)=O)=C(C)Nc2n3)n2nc3SCc2ccccc2)cc1

InChI

InChI=1S/C26H24N6OS/c1-17-10-12-20(13-11-17)23-22(24(33)29-21-9-6-14-27-15-21)18(2)28-25-30-26(31-32(23)25)34-16-19-7-4-3-5-8-19/h3-15,23H,16H2,1-2H3,(H,29,33)(H,28,30,31)/t23-/m0/s1

InChI Key

PCPNTZDRNLVYOP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04457093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.13

Polar Surface Area

68.108

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C118-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C118-0366?
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What is the minimum amount of C118-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0366
  • 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 C118-0366 available by request