D268-0317 Screening compound: ethyl 4-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}benzoate

D268-0317 Screening compound: ethyl 4-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}benzoate
D268-0317 Screening compound: ethyl 4-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0317
ethyl 4-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}benzoate

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

D268-0317

Molecular Formula

C20H18N6O4 (C20 H18 N6 O4)

Compound Name

ethyl 4-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1c(-c2nonc2N)nc2c1cccc2)=O)=O

InChI

InChI=1S/C20H18N6O4/c1-2-29-20(28)12-7-9-13(10-8-12)22-16(27)11-26-15-6-4-3-5-14(15)23-19(26)17-18(21)25-30-24-17/h3-10H,2,11H2,1H3,(H2,21,25)(H,22,27)

InChI Key

OBYYLSDNQLNSNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04150893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.04

Polar Surface Area

110.883

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D268-0317 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D268-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0317?
Check Price and Availability of D268-0317, 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 D268-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0317
  • 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 D268-0317 available by request