D400-0127 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-propylacetamide

D400-0127 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-propylacetamide
D400-0127 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0127
2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-propylacetamide

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

D400-0127

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-propylacetamide

IUPAC name

2-{3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenoxy}-N-propylacetamide

SMILES

CCCNC(COc1cc(-c2nc(-c3ccc(C)cc3)no2)ccc1)=O

InChI

InChI=1S/C20H21N3O3/c1-3-11-21-18(24)13-25-17-6-4-5-16(12-17)20-22-19(23-26-20)15-9-7-14(2)8-10-15/h4-10,12H,3,11,13H2,1-2H3,(H,21,24)

InChI Key

BXTWVMLSGZMBCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.15

Polar Surface Area

63.456

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D400-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0127?
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What is the minimum amount of D400-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0127
  • 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 D400-0127 available by request