M317-0704 Screening compound: N-[(4-methylphenyl)methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

M317-0704 Screening compound: N-[(4-methylphenyl)methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
M317-0704 Screening compound: N-[(4-methylphenyl)methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M317-0704
N-[(4-methylphenyl)methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

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

M317-0704

Molecular Formula

C22H20N4O2 (C22 H20 N4 O2)

Compound Name

N-[(4-methylphenyl)methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-1-[(5-phenyl-124-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

SMILES

Cc1ccc(CNC(c2cccn2Cc2noc(-c3ccccc3)n2)=O)cc1

InChI

InChI=1S/C22H20N4O2/c1-16-9-11-17(12-10-16)14-23-21(27)19-8-5-13-26(19)15-20-24-22(28-25-20)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,23,27)

InChI Key

DMUWXNJZULTSRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.16

Polar Surface Area

58.909

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M317-0704 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 M317-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M317-0704?
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What is the minimum amount of M317-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M317-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M317-0704
  • 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 M317-0704 available by request