5056-0087 Screening compound: methyl 2-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

5056-0087 Screening compound: methyl 2-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
5056-0087 Screening compound: methyl 2-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5056-0087
methyl 2-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

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

5056-0087

Molecular Formula

C20H19NO5 (C20 H19 NO5)

Compound Name

methyl 2-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

IUPAC name

methyl 2-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-23-dihydro-1H-indol-1-yl}acetate

SMILES

Cc(cc1)ccc1C(CC(c(cccc1)c1N1CC(OC)=O)(C1=O)O)=O

InChI

InChI=1S/C20H19NO5/c1-13-7-9-14(10-8-13)17(22)11-20(25)15-5-3-4-6-16(15)21(19(20)24)12-18(23)26-2/h3-10,25H,11-12H2,1-2H3/t20-/m0/s1

InChI Key

OWWPJGVFNRMTCQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03446380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.789

Distribution Coefficient, logD

1.789

Water Solubility, LogSw

-2.57

Polar Surface Area

64.893

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5056-0087 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 5056-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5056-0087?
Check Price and Availability of 5056-0087, 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 5056-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5056-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5056-0087
  • 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 5056-0087 available by request