D101-0467 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,3-dimethylbutanamide

D101-0467 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,3-dimethylbutanamide
D101-0467 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0467
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,3-dimethylbutanamide

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

D101-0467

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

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

IUPAC name

N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-33-dimethylbutanamide

SMILES

CC(C)(C)CC(NCc1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C16H21N3O3/c1-16(2,3)9-13(20)17-10-14-18-15(19-22-14)11-5-7-12(21-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,17,20)

InChI Key

KUGJKFZQWAOECG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

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

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.59

Polar Surface Area

63.597

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with D101-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0467?
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What is the minimum amount of D101-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0467
  • 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 D101-0467 available by request