C276-0827 Screening compound: 2-(methylsulfanyl)ethyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0827 Screening compound: 2-(methylsulfanyl)ethyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0827 Screening compound: 2-(methylsulfanyl)ethyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0827
2-(methylsulfanyl)ethyl 6-(furan-2-yl)-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

C276-0827

Molecular Formula

C17H19NO4S (C17 H19 NO4 S)

Compound Name

2-(methylsulfanyl)ethyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

2-(methylsulfanyl)ethyl 6-(furan-2-yl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OCCSC)=O)[nH]c(CC(C2)c3ccco3)c1C2=O

InChI

InChI=1S/C17H19NO4S/c1-10-15-12(18-16(10)17(20)22-6-7-23-2)8-11(9-13(15)19)14-4-3-5-21-14/h3-5,11,18H,6-9H2,1-2H3/t11-/m1/s1

InChI Key

YMSKQRDFWGXKSR-LLVKDONJSA-N

MDL Number (MFCD)

MFCD06752715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

2.695

Water Solubility, LogSw

-2.89

Polar Surface Area

54.667

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

C276-0827 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C276-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0827?
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What is the minimum amount of C276-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0827
  • 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 C276-0827 available by request