E690-0018 Screening compound: 2-[3-(benzylsulfonyl)-1H-indol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone

E690-0018 Screening compound: 2-[3-(benzylsulfonyl)-1H-indol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone
E690-0018 Screening compound: 2-[3-(benzylsulfonyl)-1H-indol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E690-0018
2-[3-(benzylsulfonyl)-1H-indol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone

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

E690-0018

Molecular Formula

C25H22N2O3S (C25 H22 N2 O3 S)

Compound Name

2-[3-(benzylsulfonyl)-1H-indol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-(3-phenylmethanesulfonyl-1H-indol-1-yl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(S(Cc2ccccc2)(=O)=O)c1)N(CC1)c2c1cccc2

InChI

InChI=1S/C25H22N2O3S/c28-25(27-15-14-20-10-4-6-12-22(20)27)17-26-16-24(21-11-5-7-13-23(21)26)31(29,30)18-19-8-2-1-3-9-19/h1-13,16H,14-15,17-18H2

InChI Key

NYIGYSYOKGJKHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.66

Polar Surface Area

46.158

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E690-0018 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E690-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E690-0018?
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What is the minimum amount of E690-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E690-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E690-0018
  • 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 E690-0018 available by request