C118-0372 Screening compound: 2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C118-0372 Screening compound: 2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C118-0372 Screening compound: 2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C118-0372
2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-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

C118-0372

Molecular Formula

C26H23N5O2S (C26 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2ccccc2)nn1C1c2cc(O)ccc2)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C26H23N5O2S/c1-17-22(24(33)28-20-12-6-3-7-13-20)23(19-11-8-14-21(32)15-19)31-25(27-17)29-26(30-31)34-16-18-9-4-2-5-10-18/h2-15,23,32H,16H2,1H3,(H,28,33)(H,27,29,30)/t23-/m0/s1

InChI Key

ATWOJGWRFZRNDR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04457098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.26

Polar Surface Area

76.208

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C118-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C118-0372?
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What is the minimum amount of C118-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0372
  • 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 C118-0372 available by request