D101-0485 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-ethoxybenzamide

D101-0485 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-ethoxybenzamide
D101-0485 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0485
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-ethoxybenzamide

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

D101-0485

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-ethoxybenzamide

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(NCc1nc(-c(cc2)ccc2Cl)no1)=O

InChI

InChI=1S/C18H16ClN3O3/c1-2-24-15-9-5-13(6-10-15)18(23)20-11-16-21-17(22-25-16)12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,20,23)

InChI Key

GYUTYLPEQJCNOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.50

Polar Surface Area

63.118

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D101-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0485?
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What is the minimum amount of D101-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0485
  • 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 D101-0485 available by request