M955-1654 Screening compound: 1-(azepan-1-yl)-2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

M955-1654 Screening compound: 1-(azepan-1-yl)-2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one
M955-1654 Screening compound: 1-(azepan-1-yl)-2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M955-1654
1-(azepan-1-yl)-2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-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

M955-1654

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

1-(azepan-1-yl)-2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[25-dimethyl-3-(5-phenyl-134-oxadiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

SMILES

Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(N1CCCCCC1)=O

InChI

InChI=1S/C22H26N4O2/c1-16-14-19(22-24-23-21(28-22)18-10-6-5-7-11-18)17(2)26(16)15-20(27)25-12-8-3-4-9-13-25/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3

InChI Key

MRUKTOVXTIWQTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

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

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.54

Polar Surface Area

49.128

Acid Dissociation Constant (pKa)

21.77

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

M955-1654 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M955-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M955-1654?
Check Price and Availability of M955-1654, 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 M955-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M955-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M955-1654
  • 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 M955-1654 available by request