C276-0855 Screening compound: 5-methyl 2-(oxolan-2-yl)methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

C276-0855 Screening compound: 5-methyl 2-(oxolan-2-yl)methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
C276-0855 Screening compound: 5-methyl 2-(oxolan-2-yl)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 C276-0855
5-methyl 2-(oxolan-2-yl)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

C276-0855

Molecular Formula

C18H23NO6 (C18 H23 NO6)

Compound Name

5-methyl 2-(oxolan-2-yl)methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

IUPAC name

5-methyl 2-(oxolan-2-yl)methyl 36-dimethyl-4-oxo-4567-tetrahydro-1H-indole-25-dicarboxylate

SMILES

CC(Cc1c2c(C)c(C(OCC3OCCC3)=O)[nH]1)C(C(OC)=O)C2=O

InChI

InChI=1S/C18H23NO6/c1-9-7-12-14(16(20)13(9)17(21)23-3)10(2)15(19-12)18(22)25-8-11-5-4-6-24-11/h9,11,13,19H,4-8H2,1-3H3

InChI Key

ONXLEUZXCQNZNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.316

Distribution Coefficient, logD

1.312

Water Solubility, LogSw

-1.34

Polar Surface Area

75.897

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.10

C276-0855 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS MPO Library (28609 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Nervous system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C276-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0855?
Check Price and Availability of C276-0855, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C276-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0855
  • 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 C276-0855 available by request