D160-0102 Screening compound: 6-bromo-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3-methyl-1-benzofuran-2-carboxamide

D160-0102 Screening compound: 6-bromo-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3-methyl-1-benzofuran-2-carboxamide
D160-0102 Screening compound: 6-bromo-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0102
6-bromo-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3-methyl-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

D160-0102

Molecular Formula

C14H12BrN3O3 (C14 H12 BrN3 O3)

Compound Name

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

IUPAC name

6-bromo-N-(4-ethyl-125-oxadiazol-3-yl)-3-methyl-1-benzofuran-2-carboxamide

SMILES

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

InChI

InChI=1S/C14H12BrN3O3/c1-3-10-13(18-21-17-10)16-14(19)12-7(2)9-5-4-8(15)6-11(9)20-12/h4-6H,3H2,1-2H3,(H,16,18,19)

InChI Key

DDPCWWPIKCJUKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.17

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

4.319

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.34

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

21.40

D160-0102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D160-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0102?
Check Price and Availability of D160-0102, 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 D160-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0102
  • 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 D160-0102 available by request