M445-0062 Screening compound: N-(3-cyano-4-fluorophenyl)-3-[4-oxo-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanamide

M445-0062 Screening compound: N-(3-cyano-4-fluorophenyl)-3-[4-oxo-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanamide
M445-0062 Screening compound: N-(3-cyano-4-fluorophenyl)-3-[4-oxo-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M445-0062
N-(3-cyano-4-fluorophenyl)-3-[4-oxo-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]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

M445-0062

Molecular Formula

C21H20FN5O2S (C21 H20 FN5 O2 S)

Compound Name

N-(3-cyano-4-fluorophenyl)-3-[4-oxo-2-(piperidin-1-yl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanamide

IUPAC name

N-(3-cyano-4-fluorophenyl)-3-[4-oxo-2-(piperidin-1-yl)-3H4H-thieno[32-d]pyrimidin-3-yl]propanamide

SMILES

N#Cc(cc(cc1)NC(CCN(C2=O)C(N3CCCCC3)=Nc3c2scc3)=O)c1F

InChI

InChI=1S/C21H20FN5O2S/c22-16-5-4-15(12-14(16)13-23)24-18(28)6-10-27-20(29)19-17(7-11-30-19)25-21(27)26-8-2-1-3-9-26/h4-5,7,11-12H,1-3,6,8-10H2,(H,24,28)

InChI Key

FHKHTFHOKPYWPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-3.63

Polar Surface Area

70.025

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M445-0062 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M445-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M445-0062?
Check Price and Availability of M445-0062, 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 M445-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M445-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M445-0062
  • 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 M445-0062 available by request