G802-1133 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

G802-1133 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
G802-1133 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-1133
N-[(2,3-dimethoxyphenyl)methyl]-2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}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

G802-1133

Molecular Formula

C24H25N5O5S (C24 H25 N5 O5 S)

Compound Name

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

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-2-{[7-(4-ethoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1N(C=Cn1c(SCC(NCc(cccc2OC)c2OC)=O)nnc11)C1=O

InChI

InChI=1S/C24H25N5O5S/c1-4-34-18-10-8-17(9-11-18)28-12-13-29-22(23(28)31)26-27-24(29)35-15-20(30)25-14-16-6-5-7-19(32-2)21(16)33-3/h5-13H,4,14-15H2,1-3H3,(H,25,30)

InChI Key

BWTDDSJFTOHSDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.45

Polar Surface Area

85.645

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G802-1133 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G802-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-1133?
Check Price and Availability of G802-1133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G802-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-1133
  • 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 G802-1133 available by request