D400-2946 Screening compound: N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4-dimethoxybenzamide

D400-2946 Screening compound: N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4-dimethoxybenzamide
D400-2946 Screening compound: N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-2946
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4-dimethoxybenzamide

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

D400-2946

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4-dimethoxybenzamide

IUPAC name

N-[4-(3-ethyl-124-oxadiazol-5-yl)phenyl]-34-dimethoxybenzamide

SMILES

CCc1noc(-c(cc2)ccc2NC(c(cc2)cc(OC)c2OC)=O)n1

InChI

InChI=1S/C19H19N3O4/c1-4-17-21-19(26-22-17)12-5-8-14(9-6-12)20-18(23)13-7-10-15(24-2)16(11-13)25-3/h5-11H,4H2,1-3H3,(H,20,23)

InChI Key

AMUHMMBEFFMNAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27583962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.54

Polar Surface Area

71.258

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D400-2946 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D400-2946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-2946?
Check Price and Availability of D400-2946, 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 D400-2946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-2946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-2946
  • 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 D400-2946 available by request