G240-0650 Screening compound: N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

G240-0650 Screening compound: N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
G240-0650 Screening compound: N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G240-0650
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-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

G240-0650

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

Cc1c(CNS(c(cc2)cc(OC3)c2OC3C(N2CCCCC2)=O)(=O)=O)cccc1

InChI

InChI=1S/C22H26N2O5S/c1-16-7-3-4-8-17(16)14-23-30(26,27)18-9-10-19-20(13-18)28-15-21(29-19)22(25)24-11-5-2-6-12-24/h3-4,7-10,13,21,23H,2,5-6,11-12,14-15H2,1H3/t21-/m1/s1

InChI Key

XSDDBSGVUGKRQX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14989438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.466

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.75

Polar Surface Area

74.082

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G240-0650 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 G240-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G240-0650?
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What is the minimum amount of G240-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G240-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G240-0650
  • 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 G240-0650 available by request