G802-1105 Screening compound: 2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

G802-1105 Screening compound: 2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
G802-1105 Screening compound: 2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-1105
2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

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

G802-1105

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{[7-(4-ethoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

CCOc(cc1)ccc1N(C=Cn1c(SCC(NCc2ccc(C)cc2)=O)nnc11)C1=O

InChI

InChI=1S/C23H23N5O3S/c1-3-31-19-10-8-18(9-11-19)27-12-13-28-21(22(27)30)25-26-23(28)32-15-20(29)24-14-17-6-4-16(2)5-7-17/h4-13H,3,14-15H2,1-2H3,(H,24,29)

InChI Key

QNLYJXGXNJAXCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.58

Polar Surface Area

70.297

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with G802-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-1105?
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What is the minimum amount of G802-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-1105
  • 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 G802-1105 available by request