D138-0056 Screening compound: 4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

D138-0056 Screening compound: 4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
D138-0056 Screening compound: 4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0056
4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

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

D138-0056

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

IUPAC name

4-butoxy-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]benzamide

SMILES

CCCCOc(cc1)ccc1C(NCc1nc(-c2ccccc2)no1)=O

InChI

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

InChI Key

MAHCQNVCGIBZKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07038121

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.27

Polar Surface Area

63.412

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D138-0056 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with D138-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0056?
Check Price and Availability of D138-0056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D138-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0056
  • 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 D138-0056 available by request