3817-0066 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

3817-0066 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
3817-0066 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3817-0066
1-[(4-chlorophenyl)methyl]-3-[2-(2,4-dimethoxyphenyl)-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

3817-0066

Molecular Formula

C25H22ClNO5 (C25 H22 ClNO5)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)methyl]-3-[2-(24-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-23-dihydro-1H-indol-2-one

SMILES

COc(cc1)cc(OC)c1C(CC(c(cccc1)c1N1Cc(cc2)ccc2Cl)(C1=O)O)=O

InChI

InChI=1S/C25H22ClNO5/c1-31-18-11-12-19(23(13-18)32-2)22(28)14-25(30)20-5-3-4-6-21(20)27(24(25)29)15-16-7-9-17(26)10-8-16/h3-13,30H,14-15H2,1-2H3/t25-/m0/s1

InChI Key

SEFCRSDRIWSWFL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02641180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.65

Polar Surface Area

59.217

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3817-0066 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 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:
  • Cardiovascular
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3817-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3817-0066?
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What is the minimum amount of 3817-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3817-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3817-0066
  • 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 3817-0066 available by request