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

InChI

InChI=1S/C27H27N3O5/c1-18-5-9-20(10-6-18)27-28-26(29-35-27)21-11-14-23(24(15-21)33-4)34-17-25(31)30(2)16-19-7-12-22(32-3)13-8-19/h5-15H,16-17H2,1-4H3

InChI Key

YUGPOSZBIFZYFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827525

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?
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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