E587-0620 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0620 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0620 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0620
N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)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

E587-0620

Molecular Formula

C25H27N3O5S (C25 H27 N3 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({1-[2-(26-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

CC(C1)OC(C)CN1C(Cn1c(cccc2)c2c(SCC(Nc(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C25H27N3O5S/c1-16-10-28(11-17(2)33-16)25(30)13-27-12-23(19-5-3-4-6-20(19)27)34-14-24(29)26-18-7-8-21-22(9-18)32-15-31-21/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,26,29)

InChI Key

FZARSOPYEFZZRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.747

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.19

Polar Surface Area

65.289

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with E587-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0620?
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What is the minimum amount of E587-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0620
  • 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 E587-0620 available by request