E230-0478 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1-ethyl-1H-indol-3-yl)butanamide

E230-0478 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1-ethyl-1H-indol-3-yl)butanamide
E230-0478 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1-ethyl-1H-indol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E230-0478
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1-ethyl-1H-indol-3-yl)butanamide

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

E230-0478

Molecular Formula

C22H30N2O (C22 H30 N2 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1-ethyl-1H-indol-3-yl)butanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1-ethyl-1H-indol-3-yl)butanamide

SMILES

CCn1c(cccc2)c2c(CCCC(NCCC2=CCCCC2)=O)c1

InChI

InChI=1S/C22H30N2O/c1-2-24-17-19(20-12-6-7-13-21(20)24)11-8-14-22(25)23-16-15-18-9-4-3-5-10-18/h6-7,9,12-13,17H,2-5,8,10-11,14-16H2,1H3,(H,23,25)

InChI Key

OJZMUNYRKDYSFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-3.74

Polar Surface Area

26.200

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E230-0478 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)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E230-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E230-0478?
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What is the minimum amount of E230-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E230-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E230-0478
  • 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 E230-0478 available by request