C066-5390 Screening compound: 2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

C066-5390 Screening compound: 2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
C066-5390 Screening compound: 2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5390
2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

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

C066-5390

Molecular Formula

C25H22FN3OS (C25 H22 FN3 OS)

Compound Name

2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

IUPAC name

2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

SMILES

O=C(CSc1nc2ccccc2nc1Cc(cc1)ccc1F)NCCc1ccccc1

InChI

InChI=1S/C25H22FN3OS/c26-20-12-10-19(11-13-20)16-23-25(29-22-9-5-4-8-21(22)28-23)31-17-24(30)27-15-14-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,27,30)

InChI Key

RYHHQLMLIHRTHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.79

Polar Surface Area

42.338

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C066-5390 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-5390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5390?
Check Price and Availability of C066-5390, 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 C066-5390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5390
  • 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 C066-5390 available by request