M416-1105 Screening compound: 1-{4-[3-(2-phenyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one

M416-1105 Screening compound: 1-{4-[3-(2-phenyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one
M416-1105 Screening compound: 1-{4-[3-(2-phenyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M416-1105
1-{4-[3-(2-phenyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one

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

M416-1105

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

1-{4-[3-(2-phenyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{4-[3-(2-phenyl-13-benzoxazol-5-yl)-124-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCC1c1nc(-c(cc2)cc3c2oc(-c2ccccc2)n3)no1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.28

Polar Surface Area

65.842

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M416-1105 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M416-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M416-1105?
Check Price and Availability of M416-1105, 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 M416-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M416-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M416-1105
  • 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 M416-1105 available by request