G802-0575 Screening compound: N-(2,6-dimethylphenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide

G802-0575 Screening compound: N-(2,6-dimethylphenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide
G802-0575 Screening compound: N-(2,6-dimethylphenyl)-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 G802-0575
N-(2,6-dimethylphenyl)-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

G802-0575

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1c(C)cccc1C)=O)Sc1nnc2n1C=CN(c1ccccc1)C2=O

InChI

InChI=1S/C23H23N5O2S/c1-4-18(21(29)24-19-15(2)9-8-10-16(19)3)31-23-26-25-20-22(30)27(13-14-28(20)23)17-11-6-5-7-12-17/h5-14,18H,4H2,1-3H3,(H,24,29)/t18-/m0/s1

InChI Key

UTXGQQFJVCQUCZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27161506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

2.939

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-3.12

Polar Surface Area

60.669

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G802-0575 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G802-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0575?
Check Price and Availability of G802-0575, 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 G802-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0575
  • 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 G802-0575 available by request