C118-0385 Screening compound: 2-(benzylsulfanyl)-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C118-0385 Screening compound: 2-(benzylsulfanyl)-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C118-0385 Screening compound: 2-(benzylsulfanyl)-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C118-0385
2-(benzylsulfanyl)-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-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

C118-0385

Molecular Formula

C28H28N6O4S (C28 H28 N6 O4 S)

Compound Name

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

IUPAC name

2-(benzylsulfanyl)-5-methyl-N-(pyridin-3-yl)-7-(345-trimethoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(SCc2ccccc2)nn1C1c(cc2OC)cc(OC)c2OC)=C1C(Nc1cnccc1)=O

InChI

InChI=1S/C28H28N6O4S/c1-17-23(26(35)31-20-11-8-12-29-15-20)24(19-13-21(36-2)25(38-4)22(14-19)37-3)34-27(30-17)32-28(33-34)39-16-18-9-6-5-7-10-18/h5-15,24H,16H2,1-4H3,(H,31,35)(H,30,32,33)/t24-/m0/s1

InChI Key

JENJBDHGOZQKTQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04457110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-3.83

Polar Surface Area

91.086

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C118-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0385
  • 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 C118-0385 available by request