S329-2180 Screening compound: N-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea

S329-2180 Screening compound: N-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea
S329-2180 Screening compound: N-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-2180
N-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea

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

S329-2180

Molecular Formula

C23H35N3O5 (C23 H35 N3 O5)

Compound Name

N-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea

IUPAC name

1-[1-(24-dimethoxybenzoyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

SMILES

CCCNC(N(C(CC1)CCN1C(c(ccc(OC)c1)c1OC)=O)C1CCOCC1)=O

InChI

InChI=1S/C23H35N3O5/c1-4-11-24-23(28)26(18-9-14-31-15-10-18)17-7-12-25(13-8-17)22(27)20-6-5-19(29-2)16-21(20)30-3/h5-6,16-18H,4,7-15H2,1-3H3,(H,24,28)

InChI Key

IELPMDPNQFBNAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.28

Polar Surface Area

64.570

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

S329-2180 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S329-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-2180?
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What is the minimum amount of S329-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-2180
  • 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 S329-2180 available by request