C276-0858 Screening compound: ethyl 4-oxo-3,6-diphenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0858 Screening compound: ethyl 4-oxo-3,6-diphenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0858 Screening compound: ethyl 4-oxo-3,6-diphenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0858
ethyl 4-oxo-3,6-diphenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

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

C276-0858

Molecular Formula

C23H21NO3 (C23 H21 NO3)

Compound Name

ethyl 4-oxo-3,6-diphenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

ethyl 4-oxo-36-diphenyl-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(CC(C1)c2ccccc2)c2C1=O)c2-c1ccccc1)=O

InChI

InChI=1S/C23H21NO3/c1-2-27-23(26)22-20(16-11-7-4-8-12-16)21-18(24-22)13-17(14-19(21)25)15-9-5-3-6-10-15/h3-12,17,24H,2,13-14H2,1H3/t17-/m1/s1

InChI Key

WCGBEPDRDNMZIB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06754612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-4.69

Polar Surface Area

45.523

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C276-0858 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

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 C276-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0858?
Check Price and Availability of C276-0858, 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 C276-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0858
  • 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 C276-0858 available by request