M816-2096 Screening compound: N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]propanamide

M816-2096 Screening compound: N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]propanamide
M816-2096 Screening compound: N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M816-2096
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]propanamide

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

M816-2096

Molecular Formula

C22H18ClFN4O2 (C22 H18 ClFN4 O2)

Compound Name

N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]propanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]propanamide

SMILES

O=C(CCN(C=Cn(c1c2)nc2-c(cc2)ccc2F)C1=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C22H18ClFN4O2/c23-17-5-1-15(2-6-17)14-25-21(29)9-10-27-11-12-28-20(22(27)30)13-19(26-28)16-3-7-18(24)8-4-16/h1-8,11-13H,9-10,14H2,(H,25,29)

InChI Key

UWWOSNBHRFVTFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20738880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.66

Polar Surface Area

52.420

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M816-2096 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 M816-2096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M816-2096?
Check Price and Availability of M816-2096, 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 M816-2096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M816-2096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M816-2096
  • 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 M816-2096 available by request