M216-0176 Screening compound: 1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide

M216-0176 Screening compound: 1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
M216-0176 Screening compound: 1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M216-0176
1-[3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)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

M216-0176

Molecular Formula

C23H27FN4O2S (C23 H27 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(C(CCC1)CN1C(N(c(cc1)ccc1F)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C23H27FN4O2S/c1-15(2)9-11-25-21(29)16-4-3-12-27(14-16)23-26-19-10-13-31-20(19)22(30)28(23)18-7-5-17(24)6-8-18/h5-8,10,13,15-16H,3-4,9,11-12,14H2,1-2H3,(H,25,29)/t16-/m0/s1

InChI Key

LXWSJBPCSJNCMD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27534449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.78

Polar Surface Area

53.689

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

M216-0176 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M216-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M216-0176?
Check Price and Availability of M216-0176, 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 M216-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M216-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M216-0176
  • 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 M216-0176 available by request