D160-0096 Screening compound: 5-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide

D160-0096 Screening compound: 5-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
D160-0096 Screening compound: 5-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0096
5-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-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

D160-0096

Molecular Formula

C15H14ClN3O3 (C15 H14 ClN3 O3)

Compound Name

5-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

5-chloro-N-(4-ethyl-125-oxadiazol-3-yl)-36-dimethyl-1-benzofuran-2-carboxamide

SMILES

CCc1nonc1NC(c1c(C)c2cc(Cl)c(C)cc2o1)=O

InChI

InChI=1S/C15H14ClN3O3/c1-4-11-14(19-22-18-11)17-15(20)13-8(3)9-6-10(16)7(2)5-12(9)21-13/h5-6H,4H2,1-3H3,(H,17,19,20)

InChI Key

MZMQVYTTXJRZFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.88

Polar Surface Area

69.379

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D160-0096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

References: we are preparing a list of scientific research reports with D160-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0096?
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What is the minimum amount of D160-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0096
  • 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 D160-0096 available by request