7472-0163 Screening compound: 1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

7472-0163 Screening compound: 1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
7472-0163 Screening compound: 1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0163
1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-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

7472-0163

Molecular Formula

C26H34N6O2S (C26 H34 N6 O2 S)

Compound Name

1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-{4-[2-(25-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

SMILES

Cc1ccc(C)n1CCN(CC1)CCN1C(CSc1nc2ccccc2nc1N1CCOCC1)=O

InChI

InChI=1S/C26H34N6O2S/c1-20-7-8-21(2)32(20)14-11-29-9-12-30(13-10-29)24(33)19-35-26-25(31-15-17-34-18-16-31)27-22-5-3-4-6-23(22)28-26/h3-8H,9-19H2,1-2H3

InChI Key

SYHDAUHOTVVALH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.10

Polar Surface Area

50.632

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

7472-0163 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7472-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0163?
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What is the minimum amount of 7472-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0163
  • 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 7472-0163 available by request