C276-0886 Screening compound: hexyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0886 Screening compound: hexyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0886 Screening compound: hexyl 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 C276-0886
hexyl 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

C276-0886

Molecular Formula

C20H25NO4 (C20 H25 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCOC(c1c(C)c(C(CC(C2)c3ccco3)=O)c2[nH]1)=O

InChI

InChI=1S/C20H25NO4/c1-3-4-5-6-9-25-20(23)19-13(2)18-15(21-19)11-14(12-16(18)22)17-8-7-10-24-17/h7-8,10,14,21H,3-6,9,11-12H2,1-2H3/t14-/m1/s1

InChI Key

HDXCGSWSNVXPSO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06755335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.59

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

50.00

C276-0886 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0886?
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What is the minimum amount of C276-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0886
  • 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 C276-0886 available by request