7472-0171 Screening compound: 1-(azepan-1-yl)-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

7472-0171 Screening compound: 1-(azepan-1-yl)-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
7472-0171 Screening compound: 1-(azepan-1-yl)-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0171
1-(azepan-1-yl)-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

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

7472-0171

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

1-(azepan-1-yl)-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCCCCC1

InChI

InChI=1S/C20H26N4O2S/c25-18(23-9-5-1-2-6-10-23)15-27-20-19(24-11-13-26-14-12-24)21-16-7-3-4-8-17(16)22-20/h3-4,7-8H,1-2,5-6,9-15H2

InChI Key

KNTZOHILSAOZOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-3.74

Polar Surface Area

45.049

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

7472-0171 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7472-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0171?
Check Price and Availability of 7472-0171, 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 7472-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0171
  • 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 7472-0171 available by request