G199-3398 Screening compound: 2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide

G199-3398 Screening compound: 2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
G199-3398 Screening compound: 2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3398
2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)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

G199-3398

Molecular Formula

C22H21N5O3S (C22 H21 N5 O3 S)

Compound Name

2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{[2-(4-methoxyphenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide

SMILES

COc(cc1)ccc1C(N=C(N1N2)SCC(NCCc3ccccc3)=O)=NC1=CC2=O

InChI

InChI=1S/C22H21N5O3S/c1-30-17-9-7-16(8-10-17)21-24-18-13-19(28)26-27(18)22(25-21)31-14-20(29)23-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,23,29)(H,26,28)

InChI Key

BXVYVTCLHBKLLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-2.50

Polar Surface Area

81.790

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G199-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3398?
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What is the minimum amount of G199-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3398
  • 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 G199-3398 available by request