5056-0026 Screening compound: 4-[3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]butanenitrile

5056-0026 Screening compound: 4-[3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]butanenitrile
5056-0026 Screening compound: 4-[3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]butanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5056-0026
4-[3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]butanenitrile

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

5056-0026

Molecular Formula

C20H18N2O3 (C20 H18 N2 O3)

Compound Name

4-[3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]butanenitrile

IUPAC name

4-[3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-23-dihydro-1H-indol-1-yl]butanenitrile

SMILES

N#CCCCN(C(C1(CC(c2ccccc2)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C20H18N2O3/c21-12-6-7-13-22-17-11-5-4-10-16(17)20(25,19(22)24)14-18(23)15-8-2-1-3-9-15/h1-5,8-11,25H,6-7,13-14H2/t20-/m0/s1

InChI Key

UTQUPUOOAPHMDU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03233037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.003

Distribution Coefficient, logD

1.003

Water Solubility, LogSw

-2.07

Polar Surface Area

61.785

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5056-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5056-0026?
Check Price and Availability of 5056-0026, 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 5056-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5056-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5056-0026
  • 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 5056-0026 available by request