D101-0327 Screening compound: 2-(4-bromo-3,5-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

D101-0327 Screening compound: 2-(4-bromo-3,5-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
D101-0327 Screening compound: 2-(4-bromo-3,5-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0327
2-(4-bromo-3,5-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

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

D101-0327

Molecular Formula

C20H20BrN3O3 (C20 H20 BrN3 O3)

Compound Name

2-(4-bromo-3,5-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

IUPAC name

2-(4-bromo-35-dimethylphenoxy)-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}acetamide

SMILES

Cc(cc1)ccc1-c1noc(CNC(COc(cc2C)cc(C)c2Br)=O)n1

InChI

InChI=1S/C20H20BrN3O3/c1-12-4-6-15(7-5-12)20-23-18(27-24-20)10-22-17(25)11-26-16-8-13(2)19(21)14(3)9-16/h4-9H,10-11H2,1-3H3,(H,22,25)

InChI Key

OVFHUTZPBHMIJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.3

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

5.516

Distribution Coefficient, logD

5.516

Water Solubility, LogSw

-5.38

Polar Surface Area

63.280

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D101-0327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D101-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0327?
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What is the minimum amount of D101-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0327
  • 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 D101-0327 available by request