M954-0116 Screening compound: N-(2-chloro-4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-sulfonamide

M954-0116 Screening compound: N-(2-chloro-4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-sulfonamide
M954-0116 Screening compound: N-(2-chloro-4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M954-0116
N-(2-chloro-4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-sulfonamide

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

M954-0116

Molecular Formula

C15H14ClFN4O3S (C15 H14 ClFN4 O3 S)

Compound Name

N-(2-chloro-4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-sulfonamide

IUPAC name

N-(2-chloro-4-fluorophenyl)-25-dimethyl-4-(3-methyl-124-oxadiazol-5-yl)-1H-pyrrole-3-sulfonamide

SMILES

Cc([nH]c(C)c1S(Nc(ccc(F)c2)c2Cl)(=O)=O)c1-c1nc(C)no1

InChI

InChI=1S/C15H14ClFN4O3S/c1-7-13(15-19-9(3)20-24-15)14(8(2)18-7)25(22,23)21-12-5-4-10(17)6-11(12)16/h4-6,18,21H,1-3H3

InChI Key

UDTYFYSFHSVOPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

0.856

Water Solubility, LogSw

-3.88

Polar Surface Area

82.268

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M954-0116 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M954-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M954-0116?
Check Price and Availability of M954-0116, 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 M954-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M954-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M954-0116
  • 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 M954-0116 available by request