C276-0844 Screening compound: ethyl 6-(2,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0844 Screening compound: ethyl 6-(2,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0844 Screening compound: ethyl 6-(2,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0844
ethyl 6-(2,5-dimethoxyphenyl)-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

C276-0844

Molecular Formula

C27H29NO6 (C27 H29 NO6)

Compound Name

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

IUPAC name

ethyl 6-(25-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCOC(c1c(Cc(cccc2)c2OC)c(C(CC(C2)c(cc(cc3)OC)c3OC)=O)c2[nH]1)=O

InChI

InChI=1S/C27H29NO6/c1-5-34-27(30)26-20(12-16-8-6-7-9-23(16)32-3)25-21(28-26)13-17(14-22(25)29)19-15-18(31-2)10-11-24(19)33-4/h6-11,15,17,28H,5,12-14H2,1-4H3/t17-/m1/s1

InChI Key

HKORVWGGCBOJPB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06754713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

5.231

Water Solubility, LogSw

-5.20

Polar Surface Area

68.328

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C276-0844 in Drug Discovery

Included in Screening Libraries

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 C276-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0844?
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What is the minimum amount of C276-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0844
  • 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 C276-0844 available by request