S433-1159 Screening compound: 3,4-difluoro-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)benzamide

S433-1159 Screening compound: 3,4-difluoro-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)benzamide
S433-1159 Screening compound: 3,4-difluoro-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-1159
3,4-difluoro-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)benzamide

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

S433-1159

Molecular Formula

C20H19F2N5O3 (C20 H19 F2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(c1c2)=O)=Cn1nc2C(N(CC1)CCC1NC(c(cc1)cc(F)c1F)=O)=O

InChI

InChI=1S/C20H19F2N5O3/c1-11-10-27-17(19(29)23-11)9-16(25-27)20(30)26-6-4-13(5-7-26)24-18(28)12-2-3-14(21)15(22)8-12/h2-3,8-10,13H,4-7H2,1H3,(H,23,29)(H,24,28)

InChI Key

PKONBGHYYBJUAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

0.422

Water Solubility, LogSw

-2.13

Polar Surface Area

78.375

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S433-1159 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S433-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-1159?
Check Price and Availability of S433-1159, 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 S433-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-1159
  • 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 S433-1159 available by request