4319-0031 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

4319-0031 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
4319-0031 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4319-0031
1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-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

4319-0031

Molecular Formula

C25H22ClNO3 (C25 H22 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C(CC(c(cccc1)c1N1Cc(cc2)ccc2Cl)(C1=O)O)=O

InChI

InChI=1S/C25H22ClNO3/c1-2-17-7-11-19(12-8-17)23(28)15-25(30)21-5-3-4-6-22(21)27(24(25)29)16-18-9-13-20(26)14-10-18/h3-14,30H,2,15-16H2,1H3/t25-/m0/s1

InChI Key

VYWBATGYGFJZME-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14709975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-4.87

Polar Surface Area

44.043

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4319-0031 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 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 4319-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4319-0031?
Check Price and Availability of 4319-0031, 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 4319-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4319-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4319-0031
  • 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 4319-0031 available by request