G240-0719 Screening compound: N-[2-(3-methylthiophen-2-yl)ethyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

G240-0719 Screening compound: N-[2-(3-methylthiophen-2-yl)ethyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
G240-0719 Screening compound: N-[2-(3-methylthiophen-2-yl)ethyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G240-0719
N-[2-(3-methylthiophen-2-yl)ethyl]-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

G240-0719

Molecular Formula

C21H26N2O5S2 (C21 H26 N2 O5 S2)

Compound Name

N-[2-(3-methylthiophen-2-yl)ethyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[2-(3-methylthiophen-2-yl)ethyl]-2-(piperidine-1-carbonyl)-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

Cc1c(CCNS(c(cc2)cc(OC3)c2OC3C(N2CCCCC2)=O)(=O)=O)scc1

InChI

InChI=1S/C21H26N2O5S2/c1-15-8-12-29-20(15)7-9-22-30(25,26)16-5-6-17-18(13-16)27-14-19(28-17)21(24)23-10-3-2-4-11-23/h5-6,8,12-13,19,22H,2-4,7,9-11,14H2,1H3/t19-/m1/s1

InChI Key

RJHBMTRQCGBTHH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14989445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.42

Polar Surface Area

74.942

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

G240-0719 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G240-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G240-0719?
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What is the minimum amount of G240-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G240-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G240-0719
  • 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 G240-0719 available by request