S433-1084 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-(thiophen-3-yl)acetamide

S433-1084 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-(thiophen-3-yl)acetamide
S433-1084 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-(thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-1084
N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-(thiophen-3-yl)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

S433-1084

Molecular Formula

C19H21N5O3S (C19 H21 N5 O3 S)

Compound Name

N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-(thiophen-3-yl)acetamide

IUPAC name

N-(1-{6-methyl-4-oxo-4H5H-pyrazolo[15-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-(thiophen-3-yl)acetamide

SMILES

CC(NC(c1c2)=O)=Cn1nc2C(N(CC1)CCC1NC(Cc1cscc1)=O)=O

InChI

InChI=1S/C19H21N5O3S/c1-12-10-24-16(18(26)20-12)9-15(22-24)19(27)23-5-2-14(3-6-23)21-17(25)8-13-4-7-28-11-13/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,20,26)(H,21,25)

InChI Key

GRXSQWVIAXGSIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.259

Distribution Coefficient, logD

-0.359

Water Solubility, LogSw

-2.37

Polar Surface Area

79.180

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

S433-1084 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Anti-HIV1 Library (19540 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S433-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-1084?
Check Price and Availability of S433-1084, 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 S433-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-1084
  • 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 S433-1084 available by request