C276-0430 Screening compound: cycloheptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0430 Screening compound: cycloheptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0430 Screening compound: cycloheptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0430
cycloheptyl 6-(4-ethylphenyl)-3-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

C276-0430

Molecular Formula

C25H31NO3 (C25 H31 NO3)

Compound Name

cycloheptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

cycloheptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCc1ccc(C(Cc2c3c(C)c(C(OC4CCCCCC4)=O)[nH]2)CC3=O)cc1

InChI

InChI=1S/C25H31NO3/c1-3-17-10-12-18(13-11-17)19-14-21-23(22(27)15-19)16(2)24(26-21)25(28)29-20-8-6-4-5-7-9-20/h10-13,19-20,26H,3-9,14-15H2,1-2H3/t19-/m1/s1

InChI Key

PXXJSBRNLLOBDA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06754197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

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

6.455

Distribution Coefficient, logD

6.455

Water Solubility, LogSw

-5.71

Polar Surface Area

45.456

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

C276-0430 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C276-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0430?
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What is the minimum amount of C276-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0430
  • 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 C276-0430 available by request