M954-2391F Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-3-sulfonamide

M954-2391F Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-3-sulfonamide
M954-2391F Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M954-2391F
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[1-(2-pyridyl)ethyl]-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

M954-2391F

Molecular Formula

C20H25N5O3S (C20 H25 N5 O3 S)

Compound Name

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-3-sulfonamide

IUPAC name

4-(3-cyclopropyl-124-oxadiazol-5-yl)-1-ethyl-25-dimethyl-N-[1-(pyridin-2-yl)ethyl]-1H-pyrrole-3-sulfonamide

SMILES

CCn(c(C)c1-c2nc(C3CC3)no2)c(C)c1S(NC(C)c1ncccc1)(=O)=O

InChI

InChI=1S/C20H25N5O3S/c1-5-25-13(3)17(20-22-19(23-28-20)15-9-10-15)18(14(25)4)29(26,27)24-12(2)16-8-6-7-11-21-16/h6-8,11-12,15,24H,5,9-10H2,1-4H3/t12-/m0/s1

InChI Key

HHAVJFXXDDXRJA-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-2.74

Polar Surface Area

84.044

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

M954-2391F in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M954-2391F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M954-2391F?
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What is the minimum amount of M954-2391F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M954-2391F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M954-2391F
  • 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 M954-2391F available by request