M317-1333 Screening compound: 1-(1-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)azepane

M317-1333 Screening compound: 1-(1-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)azepane
M317-1333 Screening compound: 1-(1-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M317-1333
1-(1-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)azepane

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

M317-1333

Molecular Formula

C20H21ClN4O2 (C20 H21 ClN4 O2)

Compound Name

1-(1-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)azepane

IUPAC name

1-(1-{[5-(4-chlorophenyl)-124-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)azepane

SMILES

O=C(c1cccn1Cc1noc(-c(cc2)ccc2Cl)n1)N1CCCCCC1

InChI

InChI=1S/C20H21ClN4O2/c21-16-9-7-15(8-10-16)19-22-18(23-27-19)14-25-13-5-6-17(25)20(26)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12,14H2

InChI Key

AEVHJGPJXWEKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.75

Polar Surface Area

51.475

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M317-1333 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M317-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M317-1333?
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What is the minimum amount of M317-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M317-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M317-1333
  • 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 M317-1333 available by request