M444-0061 Screening compound: 3-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

M444-0061 Screening compound: 3-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
M444-0061 Screening compound: 3-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M444-0061
3-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-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

M444-0061

Molecular Formula

C24H29N5O2S (C24 H29 N5 O2 S)

Compound Name

3-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

Cc1cccc(N(CC2)CCN2C(CN(C2=O)C(N3CCCCC3)=Nc3c2scc3)=O)c1

InChI

InChI=1S/C24H29N5O2S/c1-18-6-5-7-19(16-18)26-11-13-27(14-12-26)21(30)17-29-23(31)22-20(8-15-32-22)25-24(29)28-9-3-2-4-10-28/h5-8,15-16H,2-4,9-14,17H2,1H3

InChI Key

WBRXVGVFJLAPKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.32

Polar Surface Area

49.494

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

M444-0061 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with M444-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M444-0061?
Check Price and Availability of M444-0061, 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 M444-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M444-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M444-0061
  • 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 M444-0061 available by request