4655-0011 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

4655-0011 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
4655-0011 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4655-0011
1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-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

4655-0011

Molecular Formula

C25H20ClNO5 (C25 H20 ClNO5)

Compound Name

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

IUPAC name

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

SMILES

OC(CC(c(cc1)cc2c1OCCO2)=O)(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C25H20ClNO5/c26-19-7-3-1-5-17(19)15-27-20-8-4-2-6-18(20)25(30,24(27)29)14-21(28)16-9-10-22-23(13-16)32-12-11-31-22/h1-10,13,30H,11-12,14-15H2/t25-/m0/s1

InChI Key

OBICYOIVZSRBHT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02188096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.89

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

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.77

Polar Surface Area

59.866

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4655-0011 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4655-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4655-0011?
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What is the minimum amount of 4655-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4655-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4655-0011
  • 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 4655-0011 available by request