G947-4271 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide

G947-4271 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide
G947-4271 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4271
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-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

G947-4271

Molecular Formula

C23H27FN4O3S (C23 H27 FN4 O3 S)

Compound Name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide

IUPAC name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(5-methyl-124-oxadiazol-3-yl)benzene-1-sulfonamide

SMILES

Cc1nc(-c2cc(S(NCC3CCN(Cc(cccc4)c4F)CC3)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C23H27FN4O3S/c1-16-7-8-19(23-26-17(2)31-27-23)13-22(16)32(29,30)25-14-18-9-11-28(12-10-18)15-20-5-3-4-6-21(20)24/h3-8,13,18,25H,9-12,14-15H2,1-2H3

InChI Key

MMJWWFQCYGLEOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-4.58

Polar Surface Area

76.635

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G947-4271 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G947-4271 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G947-4271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4271
  • 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 G947-4271 available by request