E786-0506 Screening compound: 3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

E786-0506 Screening compound: 3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
E786-0506 Screening compound: 3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0506
3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

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

E786-0506

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-[(1-cyclopropanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(CCC(N(CC1)CCN1c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C26H31N3O4S/c1-19-17-21-18-23(9-10-24(21)29(19)26(31)20-7-8-20)34(32,33)16-11-25(30)28-14-12-27(13-15-28)22-5-3-2-4-6-22/h2-6,9-10,18-20H,7-8,11-17H2,1H3/t19-/m1/s1

InChI Key

ZMOSWAJVROEKEP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14918630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.00

Polar Surface Area

63.797

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E786-0506 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with E786-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0506?
Check Price and Availability of E786-0506, 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 E786-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0506
  • 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 E786-0506 available by request