C276-0884 Screening compound: heptyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0884 Screening compound: heptyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0884 Screening compound: heptyl 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 C276-0884
heptyl 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

C276-0884

Molecular Formula

C21H27NO4 (C21 H27 NO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H27NO4/c1-3-4-5-6-7-10-26-21(24)20-14(2)19-16(22-20)12-15(13-17(19)23)18-9-8-11-25-18/h8-9,11,15,22H,3-7,10,12-13H2,1-2H3/t15-/m1/s1

InChI Key

KZODRXIQXBCGFB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06754593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-4.99

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

52.40

C276-0884 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 C276-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0884?
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What is the minimum amount of C276-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0884
  • 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 C276-0884 available by request