D420-5399 Screening compound: ethyl 2-{3-[3-(2-hydroxyquinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate

D420-5399 Screening compound: ethyl 2-{3-[3-(2-hydroxyquinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate
D420-5399 Screening compound: ethyl 2-{3-[3-(2-hydroxyquinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D420-5399
ethyl 2-{3-[3-(2-hydroxyquinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamido}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

D420-5399

Molecular Formula

C23H20N4O5 (C23 H20 N4 O5)

Compound Name

ethyl 2-{3-[3-(2-hydroxyquinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate

IUPAC name

ethyl 2-{3-[3-(2-hydroxyquinolin-3-yl)-124-oxadiazol-5-yl]propanamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CCc1nc(-c2cc3ccccc3nc2O)no1)=O)=O

InChI

InChI=1S/C23H20N4O5/c1-2-31-23(30)15-8-4-6-10-18(15)24-19(28)11-12-20-26-21(27-32-20)16-13-14-7-3-5-9-17(14)25-22(16)29/h3-10,13H,2,11-12H2,1H3,(H,24,28)(H,25,29)

InChI Key

RLMODYAXGRNJMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

2.953

Water Solubility, LogSw

-3.79

Polar Surface Area

99.806

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D420-5399 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D420-5399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D420-5399?
Check Price and Availability of D420-5399, 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 D420-5399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D420-5399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D420-5399
  • 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 D420-5399 available by request