M216-0172 Screening compound: 1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

M216-0172 Screening compound: 1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
M216-0172 Screening compound: 1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M216-0172
1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

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

M216-0172

Molecular Formula

C26H25FN4O3S (C26 H25 FN4 O3 S)

Compound Name

1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

IUPAC name

1-[3-(4-fluorophenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

SMILES

COc1ccc(CNC(C(CCC2)CN2C(N(c(cc2)ccc2F)C2=O)=Nc3c2scc3)=O)cc1

InChI

InChI=1S/C26H25FN4O3S/c1-34-21-10-4-17(5-11-21)15-28-24(32)18-3-2-13-30(16-18)26-29-22-12-14-35-23(22)25(33)31(26)20-8-6-19(27)7-9-20/h4-12,14,18H,2-3,13,15-16H2,1H3,(H,28,32)/t18-/m0/s1

InChI Key

LLIAAQCBSJEJMC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27534448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.57

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

3.316

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.56

Polar Surface Area

61.120

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

M216-0172 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 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

References: we are preparing a list of scientific research reports with M216-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M216-0172?
Check Price and Availability of M216-0172, 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 M216-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M216-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M216-0172
  • 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 M216-0172 available by request