G113-0018 Screening compound: 2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G113-0018 Screening compound: 2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G113-0018 Screening compound: 2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G113-0018
2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-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

G113-0018

Molecular Formula

C27H24BrN5O2S (C27 H24 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2ccccc2)nn1C1c2cccc(Br)c2)=C1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H24BrN5O2S/c1-17-23(25(34)30-21-11-13-22(35-2)14-12-21)24(19-9-6-10-20(28)15-19)33-26(29-17)31-27(32-33)36-16-18-7-4-3-5-8-18/h3-15,24H,16H2,1-2H3,(H,30,34)(H,29,31,32)/t24-/m0/s1

InChI Key

PHBTYRHLURULSI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14980605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.116

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.48

Polar Surface Area

66.134

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with G113-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G113-0018?
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What is the minimum amount of G113-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G113-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G113-0018
  • 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 G113-0018 available by request