D101-0465 Screening compound: 3,3-dimethyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

D101-0465 Screening compound: 3,3-dimethyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide
D101-0465 Screening compound: 3,3-dimethyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0465
3,3-dimethyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

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

D101-0465

Molecular Formula

C16H21N3O2 (C16 H21 N3 O2)

Compound Name

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

IUPAC name

33-dimethyl-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}butanamide

SMILES

CC(C)(C)CC(NCc1nc(-c2ccc(C)cc2)no1)=O

InChI

InChI=1S/C16H21N3O2/c1-11-5-7-12(8-6-11)15-18-14(21-19-15)10-17-13(20)9-16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20)

InChI Key

AFXIQDILMMNXBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07363390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.13

Polar Surface Area

56.053

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 D101-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0465?
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What is the minimum amount of D101-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0465
  • 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 D101-0465 available by request