D041-0156 Screening compound: 3-(5-CHLORO-2-METHOXYPHENYL)-5-[2-(4-METHOXYPHENYL)ETHYL]-1,2,4-OXADIAZOLE

D041-0156 Screening compound: 3-(5-CHLORO-2-METHOXYPHENYL)-5-[2-(4-METHOXYPHENYL)ETHYL]-1,2,4-OXADIAZOLE
D041-0156 Screening compound: 3-(5-CHLORO-2-METHOXYPHENYL)-5-[2-(4-METHOXYPHENYL)ETHYL]-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0156
3-(5-CHLORO-2-METHOXYPHENYL)-5-[2-(4-METHOXYPHENYL)ETHYL]-1,2,4-OXADIAZOLE

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

D041-0156

Molecular Formula

C18H17ClN2O3 (C18 H17 ClN2 O3)

Compound Name

3-(5-CHLORO-2-METHOXYPHENYL)-5-[2-(4-METHOXYPHENYL)ETHYL]-1,2,4-OXADIAZOLE

IUPAC name

3-(5-chloro-2-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-124-oxadiazole

SMILES

COc1ccc(CCc2nc(-c(cc(cc3)Cl)c3OC)no2)cc1

InChI

InChI=1S/C18H17ClN2O3/c1-22-14-7-3-12(4-8-14)5-10-17-20-18(21-24-17)15-11-13(19)6-9-16(15)23-2/h3-4,6-9,11H,5,10H2,1-2H3

InChI Key

KXYHXZYZDAVEAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.01

Polar Surface Area

46.484

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D041-0156 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 D041-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0156?
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What is the minimum amount of D041-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0156
  • 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 D041-0156 available by request