D400-1546 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2,2-dimethylpropanamide

D400-1546 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2,2-dimethylpropanamide
D400-1546 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1546
N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2,2-dimethylpropanamide

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

D400-1546

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2,2-dimethylpropanamide

IUPAC name

N-{2-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]phenyl}-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(cccc1)c1-c1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C20H21N3O3/c1-20(2,3)19(24)21-16-8-6-5-7-15(16)18-22-17(23-26-18)13-9-11-14(25-4)12-10-13/h5-12H,1-4H3,(H,21,24)

InChI Key

DVWUKGDUZIZCJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827077

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.34

Polar Surface Area

61.853

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D400-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1546?
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What is the minimum amount of D400-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1546
  • 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 D400-1546 available by request