6540-0369 Screening compound: 5-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

6540-0369 Screening compound: 5-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
6540-0369 Screening compound: 5-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6540-0369
5-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

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

6540-0369

Molecular Formula

C26H22ClNO5 (C26 H22 ClNO5)

Compound Name

5-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-chloro-3-[2-(23-dihydro-14-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1c(CN(C(C2(CC(c(cc3)cc4c3OCCO4)=O)O)=O)c(cc3)c2cc3Cl)cccc1

InChI

InChI=1S/C26H22ClNO5/c1-16-4-2-3-5-18(16)15-28-21-8-7-19(27)13-20(21)26(31,25(28)30)14-22(29)17-6-9-23-24(12-17)33-11-10-32-23/h2-9,12-13,31H,10-11,14-15H2,1H3/t26-/m0/s1

InChI Key

LDIGDTMTOYEXLN-SANMLTNESA-N

MDL Number (MFCD)

MFCD03103600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.45

Polar Surface Area

59.866

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

6540-0369 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6540-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6540-0369?
Check Price and Availability of 6540-0369, 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 6540-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6540-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6540-0369
  • 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 6540-0369 available by request