7472-0176 Screening compound: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

7472-0176 Screening compound: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
7472-0176 Screening compound: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0176
1-[4-(4,6-dimethylpyrimidin-2-yl)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

7472-0176

Molecular Formula

C24H29N7O2S (C24 H29 N7 O2 S)

Compound Name

1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(46-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

SMILES

Cc1nc(N(CC2)CCN2C(CSc2nc3ccccc3nc2N2CCOCC2)=O)nc(C)c1

InChI

InChI=1S/C24H29N7O2S/c1-17-15-18(2)26-24(25-17)31-9-7-29(8-10-31)21(32)16-34-23-22(30-11-13-33-14-12-30)27-19-5-3-4-6-20(19)28-23/h3-6,15H,7-14,16H2,1-2H3

InChI Key

QVMAWAGKMAYVSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.40

Polar Surface Area

65.089

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

7472-0176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • 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 7472-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0176?
Check Price and Availability of 7472-0176, 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 7472-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0176
  • 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 7472-0176 available by request