L291-0331 Screening compound: N-{2-[4-(4-chlorobenzenesulfonamido)piperidin-1-yl]-2-oxoethyl}-4-methylbenzamide

L291-0331 Screening compound: N-{2-[4-(4-chlorobenzenesulfonamido)piperidin-1-yl]-2-oxoethyl}-4-methylbenzamide
L291-0331 Screening compound: N-{2-[4-(4-chlorobenzenesulfonamido)piperidin-1-yl]-2-oxoethyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L291-0331
N-{2-[4-(4-chlorobenzenesulfonamido)piperidin-1-yl]-2-oxoethyl}-4-methylbenzamide

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

L291-0331

Molecular Formula

C21H24ClN3O4S (C21 H24 ClN3 O4 S)

Compound Name

N-{2-[4-(4-chlorobenzenesulfonamido)piperidin-1-yl]-2-oxoethyl}-4-methylbenzamide

IUPAC name

N-{2-[4-(4-chlorobenzenesulfonamido)piperidin-1-yl]-2-oxoethyl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NCC(N(CC1)CCC1NS(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C21H24ClN3O4S/c1-15-2-4-16(5-3-15)21(27)23-14-20(26)25-12-10-18(11-13-25)24-30(28,29)19-8-6-17(22)7-9-19/h2-9,18,24H,10-14H2,1H3,(H,23,27)

InChI Key

LOMOBXHASVOTLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27241400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.81

Polar Surface Area

82.549

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L291-0331 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 L291-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L291-0331?
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What is the minimum amount of L291-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L291-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L291-0331
  • 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 L291-0331 available by request