E230-0009 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-4-(1-methyl-1H-indol-3-yl)-1-butanone

E230-0009 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-4-(1-methyl-1H-indol-3-yl)-1-butanone
E230-0009 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-4-(1-methyl-1H-indol-3-yl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E230-0009
1-(2,3-dihydro-1H-indol-1-yl)-4-(1-methyl-1H-indol-3-yl)-1-butanone

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

E230-0009

Molecular Formula

C21H22N2O (C21 H22 N2 O)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-4-(1-methyl-1H-indol-3-yl)-1-butanone

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-4-(1-methyl-1H-indol-3-yl)butan-1-one

SMILES

Cn1c(cccc2)c2c(CCCC(N(CC2)c3c2cccc3)=O)c1

InChI

InChI=1S/C21H22N2O/c1-22-15-17(18-9-3-5-11-20(18)22)8-6-12-21(24)23-14-13-16-7-2-4-10-19(16)23/h2-5,7,9-11,15H,6,8,12-14H2,1H3

InChI Key

YWFSMQSBEFQFET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.09

Polar Surface Area

17.949

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

E230-0009 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E230-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E230-0009?
Check Price and Availability of E230-0009, 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 E230-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E230-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E230-0009
  • 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 E230-0009 available by request