C276-0822 Screening compound: 2-cyclohexyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

C276-0822 Screening compound: 2-cyclohexyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
C276-0822 Screening compound: 2-cyclohexyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0822
2-cyclohexyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

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

C276-0822

Molecular Formula

C19H25NO5 (C19 H25 NO5)

Compound Name

2-cyclohexyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

IUPAC name

2-cyclohexyl 5-methyl 36-dimethyl-4-oxo-4567-tetrahydro-1H-indole-25-dicarboxylate

SMILES

CC(Cc1c2c(C)c(C(OC3CCCCC3)=O)[nH]1)C(C(OC)=O)C2=O

InChI

InChI=1S/C19H25NO5/c1-10-9-13-15(17(21)14(10)18(22)24-3)11(2)16(20-13)19(23)25-12-7-5-4-6-8-12/h10,12,14,20H,4-9H2,1-3H3

InChI Key

SOUPFDNQACDAQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-3.63

Polar Surface Area

66.469

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

C276-0822 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C276-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0822?
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What is the minimum amount of C276-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0822
  • 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 C276-0822 available by request