G240-0445 Screening compound: N-cyclopentyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

G240-0445 Screening compound: N-cyclopentyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
G240-0445 Screening compound: N-cyclopentyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G240-0445
N-cyclopentyl-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

G240-0445

Molecular Formula

C19H26N2O5S (C19 H26 N2 O5 S)

Compound Name

N-cyclopentyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-cyclopentyl-2-(piperidine-1-carbonyl)-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

O=C(C1Oc(ccc(S(NC2CCCC2)(=O)=O)c2)c2OC1)N1CCCCC1

InChI

InChI=1S/C19H26N2O5S/c22-19(21-10-4-1-5-11-21)18-13-25-17-12-15(8-9-16(17)26-18)27(23,24)20-14-6-2-3-7-14/h8-9,12,14,18,20H,1-7,10-11,13H2/t18-/m1/s1

InChI Key

YSZMWTGSGOVXDD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14989404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.98

Polar Surface Area

74.387

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

G240-0445 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G240-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G240-0445?
Check Price and Availability of G240-0445, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G240-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G240-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G240-0445
  • 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 G240-0445 available by request