E587-0672 Screening compound: 2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide

E587-0672 Screening compound: 2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide
E587-0672 Screening compound: 2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0672
2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide

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

E587-0672

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-13-8-22(9-14(2)25-13)19(24)11-21-10-17(26-12-18(23)20-3)15-6-4-5-7-16(15)21/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,20,23)

InChI Key

XYWASCQHNVPRTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.815

Distribution Coefficient, logD

0.815

Water Solubility, LogSw

-2.14

Polar Surface Area

49.917

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

E587-0672 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E587-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0672?
Check Price and Availability of E587-0672, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E587-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0672
  • 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 E587-0672 available by request