D069-0010 Screening compound: 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]propanamide

D069-0010 Screening compound: 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]propanamide
D069-0010 Screening compound: 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D069-0010
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]propanamide

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

D069-0010

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]propanamide

IUPAC name

3-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-N-[(oxolan-2-yl)methyl]propanamide

SMILES

Cc1cccc(-c2noc(CCC(NCC3OCCC3)=O)n2)c1

InChI

InChI=1S/C17H21N3O3/c1-12-4-2-5-13(10-12)17-19-16(23-20-17)8-7-15(21)18-11-14-6-3-9-22-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,21)/t14-/m1/s1

InChI Key

OHARQLBXQAZJIF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05698900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.65

Polar Surface Area

64.436

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

D069-0010 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D069-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D069-0010?
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What is the minimum amount of D069-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D069-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D069-0010
  • 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 D069-0010 available by request