E588-0069 Screening compound: N,N-diethyl-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)acetamide

E588-0069 Screening compound: N,N-diethyl-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)acetamide
E588-0069 Screening compound: N,N-diethyl-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E588-0069
N,N-diethyl-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)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

E588-0069

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

N,N-diethyl-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)acetamide

IUPAC name

NN-diethyl-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)acetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(S(Cc2ccccc2)(=O)=O)c1)=O

InChI

InChI=1S/C21H24N2O3S/c1-3-22(4-2)21(24)15-23-14-20(18-12-8-9-13-19(18)23)27(25,26)16-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3

InChI Key

BYCZUYHLVGMTLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05965099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-2.91

Polar Surface Area

46.412

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E588-0069 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E588-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E588-0069?
Check Price and Availability of E588-0069, 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 E588-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E588-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E588-0069
  • 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 E588-0069 available by request