D400-4477 Screening compound: 2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-diethylacetamide

D400-4477 Screening compound: 2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-diethylacetamide
D400-4477 Screening compound: 2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-4477
2-{2-ethoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N,N-diethylacetamide

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

D400-4477

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(COc(ccc(-c1noc(-c2ccc(C)cc2)n1)c1)c1OCC)=O

InChI

InChI=1S/C23H27N3O4/c1-5-26(6-2)21(27)15-29-19-13-12-18(14-20(19)28-7-3)22-24-23(30-25-22)17-10-8-16(4)9-11-17/h8-14H,5-7,15H2,1-4H3

InChI Key

SERPYMURCWWKMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.24

Polar Surface Area

61.845

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D400-4477 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 D400-4477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-4477?
Check Price and Availability of D400-4477, 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 D400-4477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-4477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-4477
  • 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 D400-4477 available by request