D041-0145 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole

D041-0145 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
D041-0145 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0145
5-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-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

D041-0145

Molecular Formula

C16H11ClN2O4 (C16 H11 ClN2 O4)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-124-oxadiazole

SMILES

COc(ccc(Cl)c1)c1-c1noc(-c(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C16H11ClN2O4/c1-20-12-5-3-10(17)7-11(12)15-18-16(23-19-15)9-2-4-13-14(6-9)22-8-21-13/h2-7H,8H2,1H3

InChI Key

FVFLVWSKDSRXME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.64

Polar Surface Area

56.390

Acid Dissociation Constant (pKa)

31.99

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D041-0145 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D041-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0145?
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What is the minimum amount of D041-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0145
  • 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 D041-0145 available by request