6501-0467 Screening compound: (3E)-3-({7-ethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1-methyl-2,3-dihydro-1H-indol-2-one

6501-0467 Screening compound: (3E)-3-({7-ethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1-methyl-2,3-dihydro-1H-indol-2-one
6501-0467 Screening compound: (3E)-3-({7-ethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6501-0467
(3E)-3-({7-ethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1-methyl-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

6501-0467

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

(3E)-3-({7-ethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-3-({7-ethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1-methyl-23-dihydro-1H-indol-2-one

SMILES

CCc1cccc2c1n(CC(N1CCCCC1)=O)cc2/C=C(\c(cccc1)c1N1C)/C1=O

InChI

InChI=1S/C27H29N3O2/c1-3-19-10-9-12-21-20(16-23-22-11-5-6-13-24(22)28(2)27(23)32)17-30(26(19)21)18-25(31)29-14-7-4-8-15-29/h5-6,9-13,16-17H,3-4,7-8,14-15,18H2,1-2H3

InChI Key

STNWQBPKQKMOGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04345277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.00

Polar Surface Area

33.373

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6501-0467 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 6501-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6501-0467?
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What is the minimum amount of 6501-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6501-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6501-0467
  • 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 6501-0467 available by request