D400-3642 Screening compound: N-butyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

D400-3642 Screening compound: N-butyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
D400-3642 Screening compound: N-butyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-3642
N-butyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

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

D400-3642

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

N-butyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

IUPAC name

N-butyl-2-[2-methoxy-4-(5-phenyl-124-oxadiazol-3-yl)phenoxy]acetamide

SMILES

CCCCNC(COc(ccc(-c1noc(-c2ccccc2)n1)c1)c1OC)=O

InChI

InChI=1S/C21H23N3O4/c1-3-4-12-22-19(25)14-27-17-11-10-16(13-18(17)26-2)20-23-21(28-24-20)15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,25)

InChI Key

DZBYXJNVHGLYKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.02

Polar Surface Area

71.173

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D400-3642 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D400-3642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-3642?
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What is the minimum amount of D400-3642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-3642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-3642
  • 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 D400-3642 available by request