G922-0417 Screening compound: 7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G922-0417 Screening compound: 7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G922-0417 Screening compound: 7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G922-0417
7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

G922-0417

Molecular Formula

C29H27N5O4S (C29 H27 N5 O4 S)

Compound Name

7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc(cc1)ccc1C(CSc1nn(C(c(cc2)cc(OC)c2O)C(C(Nc2ccccc2)=O)=C(C)N2)c2n1)=O

InChI

InChI=1S/C29H27N5O4S/c1-17-9-11-19(12-10-17)23(36)16-39-29-32-28-30-18(2)25(27(37)31-21-7-5-4-6-8-21)26(34(28)33-29)20-13-14-22(35)24(15-20)38-3/h4-15,26,35H,16H2,1-3H3,(H,31,37)(H,30,32,33)/t26-/m0/s1

InChI Key

APZMIRCIQQLJFX-SANMLTNESA-N

MDL Number (MFCD)

MFCD15075140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.18

Polar Surface Area

96.016

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

G922-0417 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G922-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G922-0417?
Check Price and Availability of G922-0417, 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 G922-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G922-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G922-0417
  • 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 G922-0417 available by request