D160-0087 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide

D160-0087 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
D160-0087 Screening compound: 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 D160-0087
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

D160-0087

Molecular Formula

C15H15N3O3 (C15 H15 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1nonc1NC(c1c(C)c(ccc(C)c2)c2o1)=O

InChI

InChI=1S/C15H15N3O3/c1-4-11-14(18-21-17-11)16-15(19)13-9(3)10-6-5-8(2)7-12(10)20-13/h5-7H,4H2,1-3H3,(H,16,18,19)

InChI Key

DLBZMDSFWVNSNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07444280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

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

3.981

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.01

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

D160-0087 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D160-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0087?
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What is the minimum amount of D160-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0087
  • 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 D160-0087 available by request