G240-0757 Screening compound: 2-(piperidine-1-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

G240-0757 Screening compound: 2-(piperidine-1-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
G240-0757 Screening compound: 2-(piperidine-1-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G240-0757
2-(piperidine-1-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-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

G240-0757

Molecular Formula

C24H30N2O6S (C24 H30 N2 O6 S)

Compound Name

2-(piperidine-1-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

2-(piperidine-1-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

CC(C)Oc1ccc(CNS(c(cc2)cc(OC3)c2OC3C(N2CCCCC2)=O)(=O)=O)cc1

InChI

InChI=1S/C24H30N2O6S/c1-17(2)31-19-8-6-18(7-9-19)15-25-33(28,29)20-10-11-21-22(14-20)30-16-23(32-21)24(27)26-12-4-3-5-13-26/h6-11,14,17,23,25H,3-5,12-13,15-16H2,1-2H3/t23-/m1/s1

InChI Key

XALMSJYOKZHPNS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14989447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.82

Polar Surface Area

80.885

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

G240-0757 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 G240-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G240-0757?
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What is the minimum amount of G240-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G240-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G240-0757
  • 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 G240-0757 available by request