M216-0330 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxamide

M216-0330 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxamide
M216-0330 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M216-0330
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}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

M216-0330

Molecular Formula

C27H31FN4O2S (C27 H31 FN4 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[(4-fluorophenyl)methyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl}piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(N(Cc(cc1)ccc1F)C1=O)=Nc2c1scc2)NCCC1=CCCCC1

InChI

InChI=1S/C27H31FN4O2S/c28-22-10-8-20(9-11-22)17-32-26(34)24-23(13-16-35-24)30-27(32)31-15-4-7-21(18-31)25(33)29-14-12-19-5-2-1-3-6-19/h5,8-11,13,16,21H,1-4,6-7,12,14-15,17-18H2,(H,29,33)/t21-/m0/s1

InChI Key

IBBOUMXOJVFXQC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27534526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.23

Polar Surface Area

54.221

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

M216-0330 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M216-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M216-0330?
Check Price and Availability of M216-0330, 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 M216-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M216-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M216-0330
  • 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 M216-0330 available by request