D420-5046 Screening compound: 3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

D420-5046 Screening compound: 3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
D420-5046 Screening compound: 3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D420-5046
3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

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

D420-5046

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[3-(2-hydroxy-7-methylquinolin-3-yl)-124-oxadiazol-5-yl]-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]propanamide

SMILES

CC(C)c1nnc(NC(CCc2nc(-c3cc4ccc(C)cc4nc3O)no2)=O)s1

InChI

InChI=1S/C20H20N6O3S/c1-10(2)19-24-25-20(30-19)22-15(27)6-7-16-23-17(26-29-16)13-9-12-5-4-11(3)8-14(12)21-18(13)28/h4-5,8-10H,6-7H2,1-3H3,(H,21,28)(H,22,25,27)

InChI Key

FPHAIEYUVYHRAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.95

Polar Surface Area

103.295

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D420-5046 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D420-5046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D420-5046?
Check Price and Availability of D420-5046, 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 D420-5046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D420-5046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D420-5046
  • 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 D420-5046 available by request