8018-4046 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-N'-({4-[(piperidin-1-yl)methyl]phenyl}methyl)ethanediamide

8018-4046 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-N'-({4-[(piperidin-1-yl)methyl]phenyl}methyl)ethanediamide
8018-4046 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-N'-({4-[(piperidin-1-yl)methyl]phenyl}methyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4046
N-(5-methyl-1,2-oxazol-3-yl)-N'-({4-[(piperidin-1-yl)methyl]phenyl}methyl)ethanediamide

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

8018-4046

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-N'-({4-[(piperidin-1-yl)methyl]phenyl}methyl)ethanediamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-N'-({4-[(piperidin-1-yl)methyl]phenyl}methyl)ethanediamide

SMILES

Cc1cc(NC(C(NCc2ccc(CN3CCCCC3)cc2)=O)=O)no1

InChI

InChI=1S/C19H24N4O3/c1-14-11-17(22-26-14)21-19(25)18(24)20-12-15-5-7-16(8-6-15)13-23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,20,24)(H,21,22,25)

InChI Key

DIQWZKJXPOMABH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07607097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.176

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.85

Polar Surface Area

73.543

Acid Dissociation Constant (pKa)

4.36

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8018-4046 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-4046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4046?
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What is the minimum amount of 8018-4046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4046
  • 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 8018-4046 available by request