S433-1048 Screening compound: 2-(4-chlorophenyl)-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)acetamide

S433-1048 Screening compound: 2-(4-chlorophenyl)-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)acetamide
S433-1048 Screening compound: 2-(4-chlorophenyl)-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-1048
2-(4-chlorophenyl)-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-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

S433-1048

Molecular Formula

C21H22ClN5O3 (C21 H22 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(c1c2)=O)=Cn1nc2C(N(CC1)CCC1NC(Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C21H22ClN5O3/c1-13-12-27-18(20(29)23-13)11-17(25-27)21(30)26-8-6-16(7-9-26)24-19(28)10-14-2-4-15(22)5-3-14/h2-5,11-12,16H,6-10H2,1H3,(H,23,29)(H,24,28)

InChI Key

QOXWNULVCZFAFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.89

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

1.102

Distribution Coefficient, logD

0.484

Water Solubility, LogSw

-2.75

Polar Surface Area

78.162

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S433-1048 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S433-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-1048?
Check Price and Availability of S433-1048, 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 S433-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-1048
  • 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 S433-1048 available by request