G199-1642 Screening compound: 2-(4-tert-butylphenyl)-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-1642 Screening compound: 2-(4-tert-butylphenyl)-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-1642 Screening compound: 2-(4-tert-butylphenyl)-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-1642
2-(4-tert-butylphenyl)-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

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

G199-1642

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

2-(4-tert-butylphenyl)-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

2-(4-tert-butylphenyl)-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

CC(CCCC1)N1C(CSC(N1N2)=NC(c3ccc(C(C)(C)C)cc3)=NC1=CC2=O)=O

InChI

InChI=1S/C23H29N5O2S/c1-15-7-5-6-12-27(15)20(30)14-31-22-25-21(24-18-13-19(29)26-28(18)22)16-8-10-17(11-9-16)23(2,3)4/h8-11,13,15H,5-7,12,14H2,1-4H3,(H,26,29)/t15-/m0/s1

InChI Key

GLUPNIJTVXLEID-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14984776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.01

Polar Surface Area

65.610

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with G199-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-1642?
Check Price and Availability of G199-1642, 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 G199-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-1642
  • 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 G199-1642 available by request