D101-0434 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine-4-carboxamide

D101-0434 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine-4-carboxamide
D101-0434 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0434
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine-4-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

D101-0434

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine-4-carboxamide

IUPAC name

N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}morpholine-4-carboxamide

SMILES

Cc1cccc(-c2noc(CNC(N3CCOCC3)=O)n2)c1

InChI

InChI=1S/C15H18N4O3/c1-11-3-2-4-12(9-11)14-17-13(22-18-14)10-16-15(20)19-5-7-21-8-6-19/h2-4,9H,5-8,10H2,1H3,(H,16,20)

InChI Key

JBXRLOYHOXMYHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-2.40

Polar Surface Area

66.281

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D101-0434 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D101-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0434?
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What is the minimum amount of D101-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0434
  • 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 D101-0434 available by request