G199-3605 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide

G199-3605 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide
G199-3605 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3605
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide

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

G199-3605

Molecular Formula

C18H19N5O4S (C18 H19 N5 O4 S)

Compound Name

2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide

IUPAC name

2-{[2-(2H-13-benzodioxol-5-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-tert-butylacetamide

SMILES

CC(C)(C)NC(CSC(N1N2)=NC(c(cc3)cc4c3OCO4)=NC1=CC2=O)=O

InChI

InChI=1S/C18H19N5O4S/c1-18(2,3)21-15(25)8-28-17-20-16(19-13-7-14(24)22-23(13)17)10-4-5-11-12(6-10)27-9-26-11/h4-7H,8-9H2,1-3H3,(H,21,25)(H,22,24)

InChI Key

ZGZBTQUMZIQMMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.030

Distribution Coefficient, logD

2.030

Water Solubility, LogSw

-2.76

Polar Surface Area

90.615

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G199-3605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3605?
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What is the minimum amount of G199-3605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3605
  • 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 G199-3605 available by request