E587-0482 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one

E587-0482 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one
E587-0482 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0482
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethan-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

E587-0482

Molecular Formula

C24H33N3O3S (C24 H33 N3 O3 S)

Compound Name

2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one

IUPAC name

2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-1-(26-dimethylmorpholin-4-yl)ethan-1-one

SMILES

CC(C1)OC(C)CN1C(CSc1cn(CC(N2CCCCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C24H33N3O3S/c1-18-13-27(14-19(2)30-18)24(29)17-31-22-15-26(21-10-6-5-9-20(21)22)16-23(28)25-11-7-3-4-8-12-25/h5-6,9-10,15,18-19H,3-4,7-8,11-14,16-17H2,1-2H3

InChI Key

PFJHRVCVOUWXSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-2.68

Polar Surface Area

41.747

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with E587-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0482?
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What is the minimum amount of E587-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0482
  • 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 E587-0482 available by request