6655-0242 Screening compound: (3E)-3-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-6-chloro-2,3-dihydro-1H-indol-2-one

6655-0242 Screening compound: (3E)-3-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-6-chloro-2,3-dihydro-1H-indol-2-one
6655-0242 Screening compound: (3E)-3-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-6-chloro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6655-0242
(3E)-3-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-6-chloro-2,3-dihydro-1H-indol-2-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

6655-0242

Molecular Formula

C29H27ClN2O2 (C29 H27 ClN2 O2)

Compound Name

(3E)-3-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-6-chloro-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-3-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-6-chloro-23-dihydro-1H-indol-2-one

SMILES

CC(C)(C)c(cc1)ccc1OCCn1c(cccc2)c2c(/C=C(\c(ccc(Cl)c2)c2N2)/C2=O)c1

InChI

InChI=1S/C29H27ClN2O2/c1-29(2,3)20-8-11-22(12-9-20)34-15-14-32-18-19(23-6-4-5-7-27(23)32)16-25-24-13-10-21(30)17-26(24)31-28(25)33/h4-13,16-18H,14-15H2,1-3H3,(H,31,33)

InChI Key

ZROHNNJICLJTIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04333876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.461

Distribution Coefficient, logD

7.461

Water Solubility, LogSw

-6.26

Polar Surface Area

34.339

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

6655-0242 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6655-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6655-0242?
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What is the minimum amount of 6655-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6655-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6655-0242
  • 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 6655-0242 available by request