C151-0505 Screening compound: (2E)-2-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2,3-dihydro-1H-inden-1-one

C151-0505 Screening compound: (2E)-2-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2,3-dihydro-1H-inden-1-one
C151-0505 Screening compound: (2E)-2-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2,3-dihydro-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0505
(2E)-2-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2,3-dihydro-1H-inden-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

C151-0505

Molecular Formula

C27H23NO3 (C27 H23 NO3)

Compound Name

(2E)-2-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2,3-dihydro-1H-inden-1-one

IUPAC name

(2E)-2-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-23-dihydro-1H-inden-1-one

SMILES

COc(cccc1)c1OCCn1c(cccc2)c2c(/C=C(\Cc2c3cccc2)/C3=O)c1

InChI

InChI=1S/C27H23NO3/c1-30-25-12-6-7-13-26(25)31-15-14-28-18-21(22-9-4-5-11-24(22)28)17-20-16-19-8-2-3-10-23(19)27(20)29/h2-13,17-18H,14-16H2,1H3

InChI Key

VMHSYUYRXFBHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.492

Distribution Coefficient, logD

5.492

Water Solubility, LogSw

-5.62

Polar Surface Area

30.245

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C151-0505 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 C151-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0505?
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What is the minimum amount of C151-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0505
  • 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 C151-0505 available by request