8018-2536 Screening compound: 2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one

8018-2536 Screening compound: 2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
8018-2536 Screening compound: 2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2536
2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one

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

8018-2536

Molecular Formula

C15H16ClNO (C15 H16 ClNO)

Compound Name

2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one

IUPAC name

2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one

SMILES

CC(CCC1c2c[nH]c(cc3)c2cc3Cl)CC1=O

InChI

InChI=1S/C15H16ClNO/c1-9-2-4-11(15(18)6-9)13-8-17-14-5-3-10(16)7-12(13)14/h3,5,7-9,11,17H,2,4,6H2,1H3

InChI Key

AAUCUKYTWAGRNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.47

Polar Surface Area

23.278

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8018-2536 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2536?
Check Price and Availability of 8018-2536, 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 8018-2536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2536
  • 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 8018-2536 available by request