M445-0240 Screening compound: 3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

M445-0240 Screening compound: 3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
M445-0240 Screening compound: 3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M445-0240
3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

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

M445-0240

Molecular Formula

C23H27N5O2S (C23 H27 N5 O2 S)

Compound Name

3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

IUPAC name

3-[2-(diethylamino)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

SMILES

CCN(CC)C(N(CCC(NCCc1c[nH]c2c1cccc2)=O)C1=O)=Nc2c1scc2

InChI

InChI=1S/C23H27N5O2S/c1-3-27(4-2)23-26-19-11-14-31-21(19)22(30)28(23)13-10-20(29)24-12-9-16-15-25-18-8-6-5-7-17(16)18/h5-8,11,14-15,25H,3-4,9-10,12-13H2,1-2H3,(H,24,29)

InChI Key

SFRJONRLLLOJRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.22

Polar Surface Area

63.287

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

M445-0240 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M445-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M445-0240?
Check Price and Availability of M445-0240, 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 M445-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M445-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M445-0240
  • 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 M445-0240 available by request