G802-0667 Screening compound: N-(2,6-dimethylphenyl)-2-{[7-(3,4-dimethylphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

G802-0667 Screening compound: N-(2,6-dimethylphenyl)-2-{[7-(3,4-dimethylphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
G802-0667 Screening compound: N-(2,6-dimethylphenyl)-2-{[7-(3,4-dimethylphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0667
N-(2,6-dimethylphenyl)-2-{[7-(3,4-dimethylphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

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

G802-0667

Molecular Formula

C25H27N5O2S (C25 H27 N5 O2 S)

Compound Name

N-(2,6-dimethylphenyl)-2-{[7-(3,4-dimethylphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

IUPAC name

N-(26-dimethylphenyl)-2-{[7-(34-dimethylphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc1c(C)cccc1C)=O)Sc1nnc2n1C=CN(c1cc(C)c(C)cc1)C2=O

InChI

InChI=1S/C25H27N5O2S/c1-6-20(23(31)26-21-16(3)8-7-9-17(21)4)33-25-28-27-22-24(32)29(12-13-30(22)25)19-11-10-15(2)18(5)14-19/h7-14,20H,6H2,1-5H3,(H,26,31)/t20-/m0/s1

InChI Key

DFSWFVHMIMQQCF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27161594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.21

Polar Surface Area

60.669

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

G802-0667 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with G802-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0667?
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What is the minimum amount of G802-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0667
  • 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 G802-0667 available by request