E588-0761 Screening compound: N,N-bis(propan-2-yl)-2-(3-{[4-(trifluoromethyl)phenyl]methanesulfonyl}-1H-indol-1-yl)acetamide

E588-0761 Screening compound: N,N-bis(propan-2-yl)-2-(3-{[4-(trifluoromethyl)phenyl]methanesulfonyl}-1H-indol-1-yl)acetamide
E588-0761 Screening compound: N,N-bis(propan-2-yl)-2-(3-{[4-(trifluoromethyl)phenyl]methanesulfonyl}-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E588-0761
N,N-bis(propan-2-yl)-2-(3-{[4-(trifluoromethyl)phenyl]methanesulfonyl}-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

E588-0761

Molecular Formula

C24H27F3N2O3S (C24 H27 F3 N2 O3 S)

Compound Name

N,N-bis(propan-2-yl)-2-(3-{[4-(trifluoromethyl)phenyl]methanesulfonyl}-1H-indol-1-yl)acetamide

IUPAC name

NN-bis(propan-2-yl)-2-(3-{[4-(trifluoromethyl)phenyl]methanesulfonyl}-1H-indol-1-yl)acetamide

SMILES

CC(C)N(C(C)C)C(Cn1c(cccc2)c2c(S(Cc2ccc(C(F)(F)F)cc2)(=O)=O)c1)=O

InChI

InChI=1S/C24H27F3N2O3S/c1-16(2)29(17(3)4)23(30)14-28-13-22(20-7-5-6-8-21(20)28)33(31,32)15-18-9-11-19(12-10-18)24(25,26)27/h5-13,16-17H,14-15H2,1-4H3

InChI Key

IBGMPSPVJMCUCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05965790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.15

Polar Surface Area

46.558

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E588-0761 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E588-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E588-0761?
Check Price and Availability of E588-0761, 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 E588-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E588-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E588-0761
  • 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 E588-0761 available by request