C276-0846 Screening compound: ethyl 3-[(2-methoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0846 Screening compound: ethyl 3-[(2-methoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0846 Screening compound: ethyl 3-[(2-methoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0846
ethyl 3-[(2-methoxyphenyl)methyl]-4-oxo-6-phenyl-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

C276-0846

Molecular Formula

C25H25NO4 (C25 H25 NO4)

Compound Name

ethyl 3-[(2-methoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

ethyl 3-[(2-methoxyphenyl)methyl]-4-oxo-6-phenyl-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCOC(c1c(Cc(cccc2)c2OC)c(C(CC(C2)c3ccccc3)=O)c2[nH]1)=O

InChI

InChI=1S/C25H25NO4/c1-3-30-25(28)24-19(13-17-11-7-8-12-22(17)29-2)23-20(26-24)14-18(15-21(23)27)16-9-5-4-6-10-16/h4-12,18,26H,3,13-15H2,1-2H3/t18-/m1/s1

InChI Key

MGKJIGDKVUITJT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06754700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

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

5.137

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.23

Polar Surface Area

53.153

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C276-0846 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0846?
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What is the minimum amount of C276-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0846
  • 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 C276-0846 available by request