L586-1482 Screening compound: 2-chloro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide

L586-1482 Screening compound: 2-chloro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide
L586-1482 Screening compound: 2-chloro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-1482
2-chloro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)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

L586-1482

Molecular Formula

C23H28ClN3O3S2 (C23 H28 ClN3 O3 S2)

Compound Name

2-chloro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide

IUPAC name

2-chloro-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide

SMILES

O=C(c(cc(cc1)S(N2CCSCC2)(=O)=O)c1Cl)NCCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H28ClN3O3S2/c24-22-7-6-20(32(29,30)27-12-14-31-15-13-27)16-21(22)23(28)25-9-3-10-26-11-8-18-4-1-2-5-19(18)17-26/h1-2,4-7,16H,3,8-15,17H2,(H,25,28)

InChI Key

HNAJHYOJDTWDKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-4.24

Polar Surface Area

59.849

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

L586-1482 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 L586-1482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-1482?
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What is the minimum amount of L586-1482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-1482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-1482
  • 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 L586-1482 available by request