M954-0394 Screening compound: 4-{[4-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]SULFONYL}MORPHOLINE

M954-0394 Screening compound: 4-{[4-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]SULFONYL}MORPHOLINE
M954-0394 Screening compound: 4-{[4-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]SULFONYL}MORPHOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound M954-0394
4-{[4-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]SULFONYL}MORPHOLINE

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

M954-0394

Molecular Formula

C14H20N4O4S (C14 H20 N4 O4 S)

Compound Name

4-{[4-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]SULFONYL}MORPHOLINE

IUPAC name

n/a

SMILES

CCc1noc(-c2c(C)[nH]c(C)c2S(N2CCOCC2)(=O)=O)n1

InChI

InChI=1S/C14H20N4O4S/c1-4-11-16-14(22-17-11)12-9(2)15-10(3)13(12)23(19,20)18-5-7-21-8-6-18/h15H,4-8H2,1-3H3

InChI Key

UVFASXPDZPUWAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.167

Distribution Coefficient, logD

1.167

Water Solubility, LogSw

-1.56

Polar Surface Area

83.314

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

M954-0394 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M954-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M954-0394?
Check Price and Availability of M954-0394, 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 M954-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M954-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M954-0394
  • 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 M954-0394 available by request