C276-0588 Screening compound: ethyl 6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0588 Screening compound: ethyl 6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0588 Screening compound: ethyl 6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0588
ethyl 6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-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

C276-0588

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

ethyl 6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

ethyl 6-(34-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(CC(C1)c(cc2)cc(OC)c2OC)c2C1=O)c2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H27NO6/c1-5-33-26(29)25-23(15-6-9-18(30-2)10-7-15)24-19(27-25)12-17(13-20(24)28)16-8-11-21(31-3)22(14-16)32-4/h6-11,14,17,27H,5,12-13H2,1-4H3/t17-/m1/s1

InChI Key

XLEHMRMUGHKKKQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06754315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.52

Polar Surface Area

68.328

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C276-0588 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C276-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0588?
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What is the minimum amount of C276-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0588
  • 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 C276-0588 available by request