M317-1076 Screening compound: 1-(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)-4-propylpiperazine

M317-1076 Screening compound: 1-(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)-4-propylpiperazine
M317-1076 Screening compound: 1-(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)-4-propylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M317-1076
1-(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-pyrrole-2-carbonyl)-4-propylpiperazine

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

M317-1076

Molecular Formula

C22H27N5O2 (C22 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1C(c1cccn1Cc1noc(-c2ccc(C)cc2)n1)=O

InChI

InChI=1S/C22H27N5O2/c1-3-10-25-12-14-26(15-13-25)22(28)19-5-4-11-27(19)16-20-23-21(29-24-20)18-8-6-17(2)7-9-18/h4-9,11H,3,10,12-16H2,1-2H3

InChI Key

GUNXQCFBQXTXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-3.27

Polar Surface Area

54.934

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

M317-1076 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 M317-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M317-1076?
Check Price and Availability of M317-1076, 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 M317-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M317-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M317-1076
  • 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 M317-1076 available by request