E587-0612 Screening compound: 2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

E587-0612 Screening compound: 2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
E587-0612 Screening compound: 2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0612
2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

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

E587-0612

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

IUPAC name

2-({1-[2-(26-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

SMILES

CC(C1)OC(C)CN1C(Cn1c(cccc2)c2c(SCC(Nc(cccc2)c2OC)=O)c1)=O

InChI

InChI=1S/C25H29N3O4S/c1-17-12-28(13-18(2)32-17)25(30)15-27-14-23(19-8-4-6-10-21(19)27)33-16-24(29)26-20-9-5-7-11-22(20)31-3/h4-11,14,17-18H,12-13,15-16H2,1-3H3,(H,26,29)

InChI Key

PAFUYAQALNVUMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.667

Distribution Coefficient, logD

2.667

Water Solubility, LogSw

-2.99

Polar Surface Area

55.106

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with E587-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0612?
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What is the minimum amount of E587-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0612
  • 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 E587-0612 available by request