D134-0168 Screening compound: 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide

D134-0168 Screening compound: 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
D134-0168 Screening compound: 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D134-0168
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)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

D134-0168

Molecular Formula

C17H23N3O2 (C17 H23 N3 O2)

Compound Name

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide

IUPAC name

4-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide

SMILES

CC(C)CNC(CCCc1nc(-c2cc(C)ccc2)no1)=O

InChI

InChI=1S/C17H23N3O2/c1-12(2)11-18-15(21)8-5-9-16-19-17(20-22-16)14-7-4-6-13(3)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,18,21)

InChI Key

PYSFVSDCAGYFQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.66

Polar Surface Area

56.053

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D134-0168 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D134-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D134-0168?
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What is the minimum amount of D134-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D134-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D134-0168
  • 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 D134-0168 available by request