M954-0656 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide

M954-0656 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide
M954-0656 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M954-0656
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-fluorophenyl)-2,5-dimethyl-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

M954-0656

Molecular Formula

C17H17FN4O3S (C17 H17 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]c(C)c1S(Nc(cccc2)c2F)(=O)=O)c1-c1nc(C2CC2)no1

InChI

InChI=1S/C17H17FN4O3S/c1-9-14(17-20-16(21-25-17)11-7-8-11)15(10(2)19-9)26(23,24)22-13-6-4-3-5-12(13)18/h3-6,11,19,22H,7-8H2,1-2H3

InChI Key

VWNZUTFYVLJGIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-3.76

Polar Surface Area

82.907

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

M954-0656 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 M954-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M954-0656?
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What is the minimum amount of M954-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M954-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M954-0656
  • 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 M954-0656 available by request