M445-0246 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(diethylamino)-3H,4H-thieno[3,2-d]pyrimidin-4-one

M445-0246 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(diethylamino)-3H,4H-thieno[3,2-d]pyrimidin-4-one
M445-0246 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(diethylamino)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M445-0246
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(diethylamino)-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

M445-0246

Molecular Formula

C23H28ClN5O2S (C23 H28 ClN5 O2 S)

Compound Name

3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(diethylamino)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(diethylamino)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCN(CC)C(N(CCC(N(CC1)CCN1c1cccc(Cl)c1)=O)C1=O)=Nc2c1scc2

InChI

InChI=1S/C23H28ClN5O2S/c1-3-26(4-2)23-25-19-9-15-32-21(19)22(31)29(23)10-8-20(30)28-13-11-27(12-14-28)18-7-5-6-17(24)16-18/h5-7,9,15-16H,3-4,8,10-14H2,1-2H3

InChI Key

JDSWMJMQOIBYTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.66

Polar Surface Area

48.756

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

M445-0246 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • 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 M445-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M445-0246?
Check Price and Availability of M445-0246, 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 M445-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M445-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M445-0246
  • 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 M445-0246 available by request