E587-0335 Screening compound: 2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

E587-0335 Screening compound: 2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
E587-0335 Screening compound: 2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0335
2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]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

E587-0335

Molecular Formula

C23H22F3N3O4S (C23 H22 F3 N3 O4 S)

Compound Name

2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CSc1cn(CC(N2CCOCC2)=O)c2c1cccc2)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C23H22F3N3O4S/c24-23(25,26)33-17-7-5-16(6-8-17)27-21(30)15-34-20-13-29(19-4-2-1-3-18(19)20)14-22(31)28-9-11-32-12-10-28/h1-8,13H,9-12,14-15H2,(H,27,30)

InChI Key

XYINLYAFEYWRHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.65

Polar Surface Area

55.086

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E587-0335 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E587-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0335?
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What is the minimum amount of E587-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0335
  • 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 E587-0335 available by request