G199-2956 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide

G199-2956 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
G199-2956 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-2956
N-[(2-chlorophenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-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

G199-2956

Molecular Formula

C21H18ClN5O2S (C21 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(N=C(N1N2)SCC(NCc(cccc3)c3Cl)=O)=NC1=CC2=O

InChI

InChI=1S/C21H18ClN5O2S/c1-13-6-2-4-8-15(13)20-24-17-10-18(28)26-27(17)21(25-20)30-12-19(29)23-11-14-7-3-5-9-16(14)22/h2-10H,11-12H2,1H3,(H,23,29)(H,26,28)

InChI Key

RDKDPAOKNWPULO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-3.80

Polar Surface Area

74.404

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G199-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-2956?
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What is the minimum amount of G199-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-2956
  • 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 G199-2956 available by request