C276-1403 Screening compound: ethyl 6-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-1403 Screening compound: ethyl 6-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-1403 Screening compound: ethyl 6-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1403
ethyl 6-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-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

C276-1403

Molecular Formula

C26H27NO5 (C26 H27 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(Cc(cccc2)c2OC)c(C(CC(C2)c(cc3)ccc3OC)=O)c2[nH]1)=O

InChI

InChI=1S/C26H27NO5/c1-4-32-26(29)25-20(13-17-7-5-6-8-23(17)31-3)24-21(27-25)14-18(15-22(24)28)16-9-11-19(30-2)12-10-16/h5-12,18,27H,4,13-15H2,1-3H3/t18-/m1/s1

InChI Key

HVYXGUTYGSTPIC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07613327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.115

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-5.22

Polar Surface Area

60.697

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C276-1403 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 C276-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1403?
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What is the minimum amount of C276-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1403
  • 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 C276-1403 available by request