L586-1497 Screening compound: 2-chloro-N-{3-[methyl(phenyl)amino]propyl}-5-(thiomorpholine-4-sulfonyl)benzamide

L586-1497 Screening compound: 2-chloro-N-{3-[methyl(phenyl)amino]propyl}-5-(thiomorpholine-4-sulfonyl)benzamide
L586-1497 Screening compound: 2-chloro-N-{3-[methyl(phenyl)amino]propyl}-5-(thiomorpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-1497
2-chloro-N-{3-[methyl(phenyl)amino]propyl}-5-(thiomorpholine-4-sulfonyl)benzamide

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

L586-1497

Molecular Formula

C21H26ClN3O3S2 (C21 H26 ClN3 O3 S2)

Compound Name

2-chloro-N-{3-[methyl(phenyl)amino]propyl}-5-(thiomorpholine-4-sulfonyl)benzamide

IUPAC name

2-chloro-N-{3-[methyl(phenyl)amino]propyl}-5-(thiomorpholine-4-sulfonyl)benzamide

SMILES

CN(CCCNC(c(cc(cc1)S(N2CCSCC2)(=O)=O)c1Cl)=O)c1ccccc1

InChI

InChI=1S/C21H26ClN3O3S2/c1-24(17-6-3-2-4-7-17)11-5-10-23-21(26)19-16-18(8-9-20(19)22)30(27,28)25-12-14-29-15-13-25/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)

InChI Key

AGEAKXCHXHYJRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.83

Polar Surface Area

59.409

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L586-1497 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L586-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-1497?
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What is the minimum amount of L586-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-1497
  • 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 L586-1497 available by request