4319-0045 Screening compound: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

4319-0045 Screening compound: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
4319-0045 Screening compound: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4319-0045
3-[2-(3,4-dimethoxyphenyl)-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

4319-0045

Molecular Formula

C26H25NO5 (C26 H25 NO5)

Compound Name

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

IUPAC name

3-[2-(34-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1c(CN(C(C2(CC(c(cc3)cc(OC)c3OC)=O)O)=O)c3c2cccc3)cccc1

InChI

InChI=1S/C26H25NO5/c1-17-8-4-5-9-19(17)16-27-21-11-7-6-10-20(21)26(30,25(27)29)15-22(28)18-12-13-23(31-2)24(14-18)32-3/h4-14,30H,15-16H2,1-3H3/t26-/m0/s1

InChI Key

NEQSCZNWFKTOQI-SANMLTNESA-N

MDL Number (MFCD)

MFCD03000947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

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

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.08

Polar Surface Area

59.304

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

4319-0045 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4319-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4319-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4319-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4319-0045
  • 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 4319-0045 available by request