M317-0053 Screening compound: N-(2-ethylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

M317-0053 Screening compound: N-(2-ethylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
M317-0053 Screening compound: N-(2-ethylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M317-0053
N-(2-ethylphenyl)-1-[(5-methyl-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

M317-0053

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(c1cccn1Cc1noc(C)n1)=O

InChI

InChI=1S/C17H18N4O2/c1-3-13-7-4-5-8-14(13)19-17(22)15-9-6-10-21(15)11-16-18-12(2)23-20-16/h4-10H,3,11H2,1-2H3,(H,19,22)

InChI Key

HLNMTGHWWMPFBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.14

Polar Surface Area

56.389

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M317-0053 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M317-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M317-0053?
Check Price and Availability of M317-0053, 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 M317-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M317-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M317-0053
  • 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 M317-0053 available by request