M876-0048 Screening compound: 3-(3-bromophenyl)-5-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole

M876-0048 Screening compound: 3-(3-bromophenyl)-5-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole
M876-0048 Screening compound: 3-(3-bromophenyl)-5-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M876-0048
3-(3-bromophenyl)-5-{[5-(3-methoxyphenyl)-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

M876-0048

Molecular Formula

C18H13BrN4O3 (C18 H13 BrN4 O3)

Compound Name

3-(3-bromophenyl)-5-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazole

IUPAC name

3-(3-bromophenyl)-5-{[5-(3-methoxyphenyl)-134-oxadiazol-2-yl]methyl}-124-oxadiazole

SMILES

COc1cccc(-c2nnc(Cc3nc(-c4cccc(Br)c4)no3)o2)c1

InChI

InChI=1S/C18H13BrN4O3/c1-24-14-7-3-5-12(9-14)18-22-21-16(25-18)10-15-20-17(23-26-15)11-4-2-6-13(19)8-11/h2-9H,10H2,1H3

InChI Key

CQBXQGZJWANXLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.62

Polar Surface Area

69.035

Acid Dissociation Constant (pKa)

30.98

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M876-0048 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M876-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M876-0048?
Check Price and Availability of M876-0048, 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 M876-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M876-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M876-0048
  • 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 M876-0048 available by request