F415-0391 Screening compound: 2-(3-chloro-4-ethoxyphenyl)-4-{[(4-ethenylphenyl)methyl]sulfanyl}pyrazolo[1,5-a]pyrazine

F415-0391 Screening compound: 2-(3-chloro-4-ethoxyphenyl)-4-{[(4-ethenylphenyl)methyl]sulfanyl}pyrazolo[1,5-a]pyrazine
F415-0391 Screening compound: 2-(3-chloro-4-ethoxyphenyl)-4-{[(4-ethenylphenyl)methyl]sulfanyl}pyrazolo[1,5-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F415-0391
2-(3-chloro-4-ethoxyphenyl)-4-{[(4-ethenylphenyl)methyl]sulfanyl}pyrazolo[1,5-a]pyrazine

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

F415-0391

Molecular Formula

C23H20ClN3OS (C23 H20 ClN3 OS)

Compound Name

2-(3-chloro-4-ethoxyphenyl)-4-{[(4-ethenylphenyl)methyl]sulfanyl}pyrazolo[1,5-a]pyrazine

IUPAC name

2-(3-chloro-4-ethoxyphenyl)-4-{[(4-ethenylphenyl)methyl]sulfanyl}pyrazolo[15-a]pyrazine

SMILES

CCOc(ccc(-c1nn(ccnc2SCc3ccc(C=C)cc3)c2c1)c1)c1Cl

InChI

InChI=1S/C23H20ClN3OS/c1-3-16-5-7-17(8-6-16)15-29-23-21-14-20(26-27(21)12-11-25-23)18-9-10-22(28-4-2)19(24)13-18/h3,5-14H,1,4,15H2,2H3

InChI Key

OHEVQLPAFQHELC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-6.09

Polar Surface Area

26.959

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F415-0391 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 F415-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F415-0391?
Check Price and Availability of F415-0391, 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 F415-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F415-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F415-0391
  • 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 F415-0391 available by request