L295-0561 Screening compound: 2-(4-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}piperazin-1-yl)pyrimidine

L295-0561 Screening compound: 2-(4-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}piperazin-1-yl)pyrimidine
L295-0561 Screening compound: 2-(4-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L295-0561
2-(4-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}piperazin-1-yl)pyrimidine

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

L295-0561

Molecular Formula

C25H31N5O4S (C25 H31 N5 O4 S)

Compound Name

2-(4-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{[356-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}piperazin-1-yl)pyrimidine

SMILES

Cc1c(C(N2CCCCC2)=O)oc2c1cc(C)c(C)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C25H31N5O4S/c1-17-16-20-19(3)21(24(31)28-10-5-4-6-11-28)34-22(20)23(18(17)2)35(32,33)30-14-12-29(13-15-30)25-26-8-7-9-27-25/h7-9,16H,4-6,10-15H2,1-3H3

InChI Key

NOQZIYBNRVJVTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27242088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-3.79

Polar Surface Area

78.979

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

L295-0561 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L295-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L295-0561?
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What is the minimum amount of L295-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L295-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L295-0561
  • 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 L295-0561 available by request