8015-0617 Screening compound: cycloheptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

8015-0617 Screening compound: cycloheptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
8015-0617 Screening compound: cycloheptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0617
cycloheptyl 6-(4-fluorophenyl)-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

8015-0617

Molecular Formula

C23H26FNO3 (C23 H26 FNO3)

Compound Name

cycloheptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

cycloheptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OC2CCCCCC2)=O)[nH]c(CC(C2)c(cc3)ccc3F)c1C2=O

InChI

InChI=1S/C23H26FNO3/c1-14-21-19(12-16(13-20(21)26)15-8-10-17(24)11-9-15)25-22(14)23(27)28-18-6-4-2-3-5-7-18/h8-11,16,18,25H,2-7,12-13H2,1H3/t16-/m0/s1

InChI Key

OTEOIUFQEHTDLI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03855151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.48

Polar Surface Area

45.456

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

8015-0617 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0617?
Check Price and Availability of 8015-0617, 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 8015-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0617
  • 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 8015-0617 available by request