D400-3108 Screening compound: N-[(2-methoxyphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

D400-3108 Screening compound: N-[(2-methoxyphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
D400-3108 Screening compound: N-[(2-methoxyphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-3108
N-[(2-methoxyphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

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

D400-3108

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-[(3-phenyl-124-oxadiazol-5-yl)methoxy]benzamide

SMILES

COc1c(CNC(c(cccc2)c2OCc2nc(-c3ccccc3)no2)=O)cccc1

InChI

InChI=1S/C24H21N3O4/c1-29-20-13-7-5-11-18(20)15-25-24(28)19-12-6-8-14-21(19)30-16-22-26-23(27-31-22)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,28)

InChI Key

BTABJTMPZZEWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.67

Polar Surface Area

70.939

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D400-3108 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 D400-3108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-3108?
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What is the minimum amount of D400-3108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-3108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-3108
  • 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 D400-3108 available by request