D269-1117 Screening compound: 5-bromo-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

D269-1117 Screening compound: 5-bromo-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
D269-1117 Screening compound: 5-bromo-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D269-1117
5-bromo-N-[4-(4-ethoxyphenyl)-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

D269-1117

Molecular Formula

C20H16BrN3O4 (C20 H16 BrN3 O4)

Compound Name

5-bromo-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

5-bromo-N-[4-(4-ethoxyphenyl)-125-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

CCOc(cc1)ccc1-c1nonc1NC(c1c(C)c(cc(cc2)Br)c2o1)=O

InChI

InChI=1S/C20H16BrN3O4/c1-3-26-14-7-4-12(5-8-14)17-19(24-28-23-17)22-20(25)18-11(2)15-10-13(21)6-9-16(15)27-18/h4-10H,3H2,1-2H3,(H,22,24,25)

InChI Key

KJKOCZVJGFRQTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.798

Distribution Coefficient, logD

5.631

Water Solubility, LogSw

-5.58

Polar Surface Area

75.736

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D269-1117 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D269-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D269-1117?
Check Price and Availability of D269-1117, 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 D269-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D269-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D269-1117
  • 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 D269-1117 available by request