S213-0327 Screening compound: 2-ethoxy-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide

S213-0327 Screening compound: 2-ethoxy-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide
S213-0327 Screening compound: 2-ethoxy-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0327
2-ethoxy-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide

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

S213-0327

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

2-ethoxy-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide

IUPAC name

2-ethoxy-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide

SMILES

CCOc(cccc1)c1C(N(CC1COCC1)C1CCN(C)CC1)=O

InChI

InChI=1S/C20H30N2O3/c1-3-25-19-7-5-4-6-18(19)20(23)22(14-16-10-13-24-15-16)17-8-11-21(2)12-9-17/h4-7,16-17H,3,8-15H2,1-2H3/t16-/m1/s1

InChI Key

RUHAUBAHJZYBMQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD28995559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.364

Distribution Coefficient, logD

0.277

Water Solubility, LogSw

-2.67

Polar Surface Area

35.074

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S213-0327 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0327?
Check Price and Availability of S213-0327, 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 S213-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0327
  • 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 S213-0327 available by request