G802-0585 Screening compound: N-(2,4-dimethoxyphenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide

G802-0585 Screening compound: N-(2,4-dimethoxyphenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide
G802-0585 Screening compound: N-(2,4-dimethoxyphenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0585
N-(2,4-dimethoxyphenyl)-2-({8-oxo-7-phenyl-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

G802-0585

Molecular Formula

C23H23N5O4S (C23 H23 N5 O4 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-2-({8-oxo-7-phenyl-7H8H-[124]triazolo[43-a]pyrazin-3-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc(ccc(OC)c1)c1OC)=O)Sc1nnc2n1C=CN(c1ccccc1)C2=O

InChI

InChI=1S/C23H23N5O4S/c1-4-19(21(29)24-17-11-10-16(31-2)14-18(17)32-3)33-23-26-25-20-22(30)27(12-13-28(20)23)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3,(H,24,29)/t19-/m0/s1

InChI Key

MDTLDDGJURGNLQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27161516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-3.14

Polar Surface Area

76.541

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G802-0585 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with G802-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0585?
Check Price and Availability of G802-0585, 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 G802-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0585
  • 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 G802-0585 available by request