L346-0513 Screening compound: 2,4,5-trimethyl-N-[5-(2-methylpiperidine-1-carbonyl)-6-(piperazin-1-yl)pyridin-3-yl]benzene-1-sulfonamide

L346-0513 Screening compound: 2,4,5-trimethyl-N-[5-(2-methylpiperidine-1-carbonyl)-6-(piperazin-1-yl)pyridin-3-yl]benzene-1-sulfonamide
L346-0513 Screening compound: 2,4,5-trimethyl-N-[5-(2-methylpiperidine-1-carbonyl)-6-(piperazin-1-yl)pyridin-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L346-0513
2,4,5-trimethyl-N-[5-(2-methylpiperidine-1-carbonyl)-6-(piperazin-1-yl)pyridin-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

L346-0513

Molecular Formula

C25H35N5O3S (C25 H35 N5 O3 S)

Compound Name

2,4,5-trimethyl-N-[5-(2-methylpiperidine-1-carbonyl)-6-(piperazin-1-yl)pyridin-3-yl]benzene-1-sulfonamide

IUPAC name

245-trimethyl-N-[5-(2-methylpiperidine-1-carbonyl)-6-(piperazin-1-yl)pyridin-3-yl]benzene-1-sulfonamide

SMILES

CC(CCCC1)N1C(c1cc(NS(c2c(C)cc(C)c(C)c2)(=O)=O)cnc1N1CCNCC1)=O

InChI

InChI=1S/C25H35N5O3S/c1-17-13-19(3)23(14-18(17)2)34(32,33)28-21-15-22(25(31)30-10-6-5-7-20(30)4)24(27-16-21)29-11-8-26-9-12-29/h13-16,20,26,28H,5-12H2,1-4H3/t20-/m0/s1

InChI Key

NXNAOGOOGIIXIL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27247450

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-3.77

Polar Surface Area

81.305

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

L346-0513 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L346-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L346-0513?
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What is the minimum amount of L346-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L346-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L346-0513
  • 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 L346-0513 available by request