D400-4476 Screening compound: 2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-dimethylacetamide

D400-4476 Screening compound: 2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-dimethylacetamide
D400-4476 Screening compound: 2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-4476
2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-dimethylacetamide

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

D400-4476

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-dimethylacetamide

IUPAC name

2-{2-ethoxy-4-[5-(4-methylphenyl)-124-oxadiazol-3-yl]phenoxy}-NN-dimethylacetamide

SMILES

CCOc(cc(cc1)-c2noc(-c3ccc(C)cc3)n2)c1OCC(N(C)C)=O

InChI

InChI=1S/C21H23N3O4/c1-5-26-18-12-16(10-11-17(18)27-13-19(25)24(3)4)20-22-21(28-23-20)15-8-6-14(2)7-9-15/h6-12H,5,13H2,1-4H3

InChI Key

FENBGXSNOKWXEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.00

Polar Surface Area

61.913

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D400-4476 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-4476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-4476?
Check Price and Availability of D400-4476, 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 D400-4476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-4476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-4476
  • 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 D400-4476 available by request