S539-0634 Screening compound: 5-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-fluorobenzamide

S539-0634 Screening compound: 5-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-fluorobenzamide
S539-0634 Screening compound: 5-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-0634
5-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-fluorobenzamide

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

S539-0634

Molecular Formula

C23H20ClFN4O2 (C23 H20 ClFN4 O2)

Compound Name

5-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-fluorobenzamide

IUPAC name

5-chloro-N-{2-[2-(34-dimethylphenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]ethyl}-2-fluorobenzamide

SMILES

Cc(cc1)c(C)cc1-c1nn(C=CN(CCNC(c(cc(cc2)Cl)c2F)=O)C2=O)c2c1

InChI

InChI=1S/C23H20ClFN4O2/c1-14-3-4-16(11-15(14)2)20-13-21-23(31)28(9-10-29(21)27-20)8-7-26-22(30)18-12-17(24)5-6-19(18)25/h3-6,9-13H,7-8H2,1-2H3,(H,26,30)

InChI Key

NAJRIRKMDOPBBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.50

Polar Surface Area

52.475

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

S539-0634 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 S539-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-0634?
Check Price and Availability of S539-0634, 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 S539-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-0634
  • 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 S539-0634 available by request