M445-0104 Screening compound: 3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-(pyrrolidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

M445-0104 Screening compound: 3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-(pyrrolidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
M445-0104 Screening compound: 3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-(pyrrolidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M445-0104
3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-(pyrrolidin-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

M445-0104

Molecular Formula

C22H26N6O2S (C22 H26 N6 O2 S)

Compound Name

3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-(pyrrolidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2-(pyrrolidin-1-yl)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CCN(C1=O)C(N2CCCC2)=Nc2c1scc2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C22H26N6O2S/c29-19(26-14-12-25(13-15-26)18-5-1-2-8-23-18)6-11-28-21(30)20-17(7-16-31-20)24-22(28)27-9-3-4-10-27/h1-2,5,7-8,16H,3-4,6,9-15H2

InChI Key

YUTMSOPOTQNEHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-2.43

Polar Surface Area

58.349

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

M445-0104 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • 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:
  • GPCR
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M445-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M445-0104?
Check Price and Availability of M445-0104, 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 M445-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M445-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M445-0104
  • 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 M445-0104 available by request