M876-1242 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole

M876-1242 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole
M876-1242 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M876-1242
3-(2H-1,3-benzodioxol-5-yl)-5-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-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

M876-1242

Molecular Formula

C18H11ClN4O4 (C18 H11 ClN4 O4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-5-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole

IUPAC name

n/a

SMILES

Clc(cc1)ccc1-c1nnc(Cc2nc(-c(cc3)cc4c3OCO4)no2)o1

InChI

InChI=1S/C18H11ClN4O4/c19-12-4-1-10(2-5-12)18-22-21-16(26-18)8-15-20-17(23-27-15)11-3-6-13-14(7-11)25-9-24-13/h1-7H,8-9H2

InChI Key

XYXMECICBNYATJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.70

Polar Surface Area

78.607

Acid Dissociation Constant (pKa)

30.98

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with M876-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M876-1242?
Check Price and Availability of M876-1242, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M876-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M876-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M876-1242
  • 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 M876-1242 available by request