D101-0221 Screening compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

D101-0221 Screening compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
D101-0221 Screening compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0221
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

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

D101-0221

Molecular Formula

C14H11N3O2S (C14 H11 N3 O2 S)

Compound Name

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

IUPAC name

N-[(3-phenyl-124-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

SMILES

O=C(c1cccs1)NCc1nc(-c2ccccc2)no1

InChI

InChI=1S/C14H11N3O2S/c18-14(11-7-4-8-20-11)15-9-12-16-13(17-19-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)

InChI Key

PPJTWHARWSRTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.29

Polar Surface Area

57.013

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D101-0221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D101-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0221?
Check Price and Availability of D101-0221, 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 D101-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0221
  • 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 D101-0221 available by request