S433-1088 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-phenylpropanamide

S433-1088 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-phenylpropanamide
S433-1088 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-1088
N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2-phenylpropanamide

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

S433-1088

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NC(CC1)CCN1C(c1nn(C=C(C)NC2=O)c2c1)=O)=O)c1ccccc1

InChI

InChI=1S/C22H25N5O3/c1-14-13-27-19(21(29)23-14)12-18(25-27)22(30)26-10-8-17(9-11-26)24-20(28)15(2)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11H2,1-2H3,(H,23,29)(H,24,28)/t15-/m1/s1

InChI Key

KDSRIHQWVVAGQJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29009876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

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

1.447

Distribution Coefficient, logD

0.830

Water Solubility, LogSw

-2.14

Polar Surface Area

78.375

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

S433-1088 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S433-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-1088?
Check Price and Availability of S433-1088, 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 S433-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-1088
  • 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 S433-1088 available by request