D400-3959 Screening compound: 2-{2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

D400-3959 Screening compound: 2-{2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
D400-3959 Screening compound: 2-{2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-[(4-methoxyphenyl)methyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-3959
2-{2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

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

D400-3959

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

2-{2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

IUPAC name

2-{2-methoxy-4-[5-(4-methylphenyl)-124-oxadiazol-3-yl]phenoxy}-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

SMILES

Cc(cc1)ccc1-c1nc(-c(cc2)cc(OC)c2OCC(N(C)Cc(cc2)ccc2OC)=O)no1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.221

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-5.08

Polar Surface Area

70.027

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D400-3959 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 D400-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-3959?
Check Price and Availability of D400-3959, 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 D400-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-3959
  • 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 D400-3959 available by request