C118-0408 Screening compound: 2-(benzylsulfanyl)-7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C118-0408 Screening compound: 2-(benzylsulfanyl)-7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C118-0408 Screening compound: 2-(benzylsulfanyl)-7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C118-0408
2-(benzylsulfanyl)-7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-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

C118-0408

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2ccccc2)nn1C1c(cc2)ccc2O)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C27H25N5O3S/c1-17-23(25(34)29-21-10-6-7-11-22(21)35-2)24(19-12-14-20(33)15-13-19)32-26(28-17)30-27(31-32)36-16-18-8-4-3-5-9-18/h3-15,24,33H,16H2,1-2H3,(H,29,34)(H,28,30,31)/t24-/m0/s1

InChI Key

RRBGBBHDSHJBJZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04457130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.44

Polar Surface Area

83.140

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C118-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C118-0408?
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What is the minimum amount of C118-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0408
  • 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 C118-0408 available by request