6208-0254 Screening compound: 5,5-dimethyl-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}cyclohex-2-en-1-one

6208-0254 Screening compound: 5,5-dimethyl-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}cyclohex-2-en-1-one
6208-0254 Screening compound: 5,5-dimethyl-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}cyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0254
5,5-dimethyl-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}cyclohex-2-en-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

6208-0254

Molecular Formula

C19H24N2O (C19 H24 N2 O)

Compound Name

5,5-dimethyl-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}cyclohex-2-en-1-one

IUPAC name

55-dimethyl-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}cyclohex-2-en-1-one

SMILES

CC(C)(C1)CC(NCCc2c(C)[nH]c3c2cccc3)=CC1=O

InChI

InChI=1S/C19H24N2O/c1-13-16(17-6-4-5-7-18(17)21-13)8-9-20-14-10-15(22)12-19(2,3)11-14/h4-7,10,20-21H,8-9,11-12H2,1-3H3

InChI Key

OSXYNJZDLOHJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03759992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.38

Polar Surface Area

34.355

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

6208-0254 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6208-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0254?
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What is the minimum amount of 6208-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0254
  • 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 6208-0254 available by request